data_16262 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16262 _Entry.Title ; NMR solution structure of the N-terminal domain of the DNA polymerase alpha p68 subunit ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-04-22 _Entry.Accession_date 2009-04-22 _Entry.Last_release_date 2012-08-06 _Entry.Original_release_date 2012-08-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Hao Huang . . . 16262 2 Brian Weiner . E. . 16262 3 Haijiang Zhang . . . 16262 4 Brian Fuller . E. . 16262 5 Yue Gao . . . 16262 6 Brian Wile . M. . 16262 7 Walter Chazin . J. . 16262 8 Ellen Fanning . . . 16262 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 16262 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA polymerase alpha' . 16262 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16262 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 235 16262 '15N chemical shifts' 83 16262 '1H chemical shifts' 550 16262 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-06 2009-04-22 original author . 16262 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16262 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'The N-terminal domain of the p68 subunit tethers DNA polymerase alpha-primase to a replicative helicase for primosome function' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Hao Huang . . . 16262 1 2 Brian Weiner . E. . 16262 1 3 Haijiang Zhang . . . 16262 1 4 Brian Fuller . E. . 16262 1 5 Yue Gao . . . 16262 1 6 Brian Wile . M. . 16262 1 7 Walter Chazin . J. . 16262 1 8 Ellen Fanning . . . 16262 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16262 _Assembly.ID 1 _Assembly.Name p68N _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 p68N 1 $p68N A . yes native no no . . . 16262 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_p68N _Entity.Sf_category entity _Entity.Sf_framecode p68N _Entity.Entry_ID 16262 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name p68N _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGSSHHHHHHGSSLEVLFQG PGSMSASAQQLAEELQIFGL DCEEALIEKLVELCVQYGQN EEGMVGELIAFCTSTHKVGL TSEILNSFEHEFLSKRLSKA R ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8700.943 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2KEB . "Nmr Solution Structure Of The N-Terminal Domain Of The Dna Polymerase Alpha P68 Subunit" . . . . . 100.00 101 100.00 100.00 5.01e-64 . . . . 16262 1 2 no PDB 4E2I . "The Complex Structure Of The Sv40 Helicase Large T Antigen And P68 Subunit Of Dna Polymerase Alpha-primase" . . . . . 77.23 78 100.00 100.00 1.97e-46 . . . . 16262 1 3 no PDB 4Y97 . "Crystal Structure Of Human Pol Alpha B-subunit In Complex With C- Terminal Domain Of Catalytic Subunit" . . . . . 77.23 598 100.00 100.00 4.37e-43 . . . . 16262 1 4 no DBJ BAG73551 . "polymerase (DNA directed) alpha 2 [synthetic construct]" . . . . . 77.23 598 100.00 100.00 4.24e-43 . . . . 16262 1 5 no EMBL CAG33018 . "POLA2 [Homo sapiens]" . . . . . 77.23 598 100.00 100.00 4.37e-43 . . . . 16262 1 6 no GB AAA16459 . "DNA polymerase alpha [Homo sapiens]" . . . . . 77.23 598 100.00 100.00 4.33e-43 . . . . 16262 1 7 no GB AAH01347 . "Polymerase (DNA directed), alpha 2 (70kD subunit) [Homo sapiens]" . . . . . 77.23 598 100.00 100.00 4.37e-43 . . . . 16262 1 8 no GB AAH02990 . "Polymerase (DNA directed), alpha 2 (70kD subunit) [Homo sapiens]" . . . . . 77.23 598 100.00 100.00 4.37e-43 . . . . 16262 1 9 no GB ABM82949 . "polymerase (DNA directed), alpha 2 (70kD subunit) [synthetic construct]" . . . . . 77.23 598 100.00 100.00 4.37e-43 . . . . 16262 1 10 no GB ABM86141 . "polymerase (DNA directed), alpha 2 (70kD subunit) [synthetic construct]" . . . . . 77.23 598 100.00 100.00 4.37e-43 . . . . 16262 1 11 no REF NP_001253937 . "DNA polymerase alpha subunit B [Macaca mulatta]" . . . . . 77.23 598 98.72 98.72 1.46e-42 . . . . 16262 1 12 no REF NP_002680 . "DNA polymerase alpha subunit B [Homo sapiens]" . . . . . 77.23 598 100.00 100.00 4.37e-43 . . . . 16262 1 13 no REF XP_001169495 . "PREDICTED: DNA polymerase alpha subunit B isoform X1 [Pan troglodytes]" . . . . . 77.23 598 100.00 100.00 4.20e-43 . . . . 16262 1 14 no REF XP_003828668 . "PREDICTED: LOW QUALITY PROTEIN: DNA polymerase alpha subunit B [Pan paniscus]" . . . . . 77.23 598 100.00 100.00 4.37e-43 . . . . 16262 1 15 no REF XP_003909632 . "PREDICTED: LOW QUALITY PROTEIN: DNA polymerase alpha subunit B [Papio anubis]" . . . . . 77.23 598 98.72 98.72 1.46e-42 . . . . 16262 1 16 no SP Q14181 . "RecName: Full=DNA polymerase alpha subunit B; AltName: Full=DNA polymerase alpha 70 kDa subunit" . . . . . 77.23 598 100.00 100.00 4.37e-43 . . . . 16262 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -22 MET . 16262 1 2 -21 GLY . 16262 1 3 -20 SER . 16262 1 4 -19 SER . 16262 1 5 -18 HIS . 16262 1 6 -17 HIS . 16262 1 7 -16 HIS . 16262 1 8 -15 HIS . 16262 1 9 -14 HIS . 16262 1 10 -13 HIS . 16262 1 11 -12 GLY . 16262 1 12 -11 SER . 16262 1 13 -10 SER . 16262 1 14 -9 LEU . 16262 1 15 -8 GLU . 16262 1 16 -7 VAL . 16262 1 17 -6 LEU . 16262 1 18 -5 PHE . 16262 1 19 -4 GLN . 16262 1 20 -3 GLY . 16262 1 21 -2 PRO . 16262 1 22 -1 GLY . 16262 1 23 0 SER . 16262 1 24 1 MET . 16262 1 25 2 SER . 16262 1 26 3 ALA . 16262 1 27 4 SER . 16262 1 28 5 ALA . 16262 1 29 6 GLN . 16262 1 30 7 GLN . 16262 1 31 8 LEU . 16262 1 32 9 ALA . 16262 1 33 10 GLU . 16262 1 34 11 GLU . 16262 1 35 12 LEU . 16262 1 36 13 GLN . 16262 1 37 14 ILE . 16262 1 38 15 PHE . 16262 1 39 16 GLY . 16262 1 40 17 LEU . 16262 1 41 18 ASP . 16262 1 42 19 CYS . 16262 1 43 20 GLU . 16262 1 44 21 GLU . 16262 1 45 22 ALA . 16262 1 46 23 LEU . 16262 1 47 24 ILE . 16262 1 48 25 GLU . 16262 1 49 26 LYS . 16262 1 50 27 LEU . 16262 1 51 28 VAL . 16262 1 52 29 GLU . 16262 1 53 30 LEU . 16262 1 54 31 CYS . 16262 1 55 32 VAL . 16262 1 56 33 GLN . 16262 1 57 34 TYR . 16262 1 58 35 GLY . 16262 1 59 36 GLN . 16262 1 60 37 ASN . 16262 1 61 38 GLU . 16262 1 62 39 GLU . 16262 1 63 40 GLY . 16262 1 64 41 MET . 16262 1 65 42 VAL . 16262 1 66 43 GLY . 16262 1 67 44 GLU . 16262 1 68 45 LEU . 16262 1 69 46 ILE . 16262 1 70 47 ALA . 16262 1 71 48 PHE . 16262 1 72 49 CYS . 16262 1 73 50 THR . 16262 1 74 51 SER . 16262 1 75 52 THR . 16262 1 76 53 HIS . 16262 1 77 54 LYS . 16262 1 78 55 VAL . 16262 1 79 56 GLY . 16262 1 80 57 LEU . 16262 1 81 58 THR . 16262 1 82 59 SER . 16262 1 83 60 GLU . 16262 1 84 61 ILE . 16262 1 85 62 LEU . 16262 1 86 63 ASN . 16262 1 87 64 SER . 16262 1 88 65 PHE . 16262 1 89 66 GLU . 16262 1 90 67 HIS . 16262 1 91 68 GLU . 16262 1 92 69 PHE . 16262 1 93 70 LEU . 16262 1 94 71 SER . 16262 1 95 72 LYS . 16262 1 96 73 ARG . 16262 1 97 74 LEU . 16262 1 98 75 SER . 16262 1 99 76 LYS . 16262 1 100 77 ALA . 16262 1 101 78 ARG . 16262 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16262 1 . GLY 2 2 16262 1 . SER 3 3 16262 1 . SER 4 4 16262 1 . HIS 5 5 16262 1 . HIS 6 6 16262 1 . HIS 7 7 16262 1 . HIS 8 8 16262 1 . HIS 9 9 16262 1 . HIS 10 10 16262 1 . GLY 11 11 16262 1 . SER 12 12 16262 1 . SER 13 13 16262 1 . LEU 14 14 16262 1 . GLU 15 15 16262 1 . VAL 16 16 16262 1 . LEU 17 17 16262 1 . PHE 18 18 16262 1 . GLN 19 19 16262 1 . GLY 20 20 16262 1 . PRO 21 21 16262 1 . GLY 22 22 16262 1 . SER 23 23 16262 1 . MET 24 24 16262 1 . SER 25 25 16262 1 . ALA 26 26 16262 1 . SER 27 27 16262 1 . ALA 28 28 16262 1 . GLN 29 29 16262 1 . GLN 30 30 16262 1 . LEU 31 31 16262 1 . ALA 32 32 16262 1 . GLU 33 33 16262 1 . GLU 34 34 16262 1 . LEU 35 35 16262 1 . GLN 36 36 16262 1 . ILE 37 37 16262 1 . PHE 38 38 16262 1 . GLY 39 39 16262 1 . LEU 40 40 16262 1 . ASP 41 41 16262 1 . CYS 42 42 16262 1 . GLU 43 43 16262 1 . GLU 44 44 16262 1 . ALA 45 45 16262 1 . LEU 46 46 16262 1 . ILE 47 47 16262 1 . GLU 48 48 16262 1 . LYS 49 49 16262 1 . LEU 50 50 16262 1 . VAL 51 51 16262 1 . GLU 52 52 16262 1 . LEU 53 53 16262 1 . CYS 54 54 16262 1 . VAL 55 55 16262 1 . GLN 56 56 16262 1 . TYR 57 57 16262 1 . GLY 58 58 16262 1 . GLN 59 59 16262 1 . ASN 60 60 16262 1 . GLU 61 61 16262 1 . GLU 62 62 16262 1 . GLY 63 63 16262 1 . MET 64 64 16262 1 . VAL 65 65 16262 1 . GLY 66 66 16262 1 . GLU 67 67 16262 1 . LEU 68 68 16262 1 . ILE 69 69 16262 1 . ALA 70 70 16262 1 . PHE 71 71 16262 1 . CYS 72 72 16262 1 . THR 73 73 16262 1 . SER 74 74 16262 1 . THR 75 75 16262 1 . HIS 76 76 16262 1 . LYS 77 77 16262 1 . VAL 78 78 16262 1 . GLY 79 79 16262 1 . LEU 80 80 16262 1 . THR 81 81 16262 1 . SER 82 82 16262 1 . GLU 83 83 16262 1 . ILE 84 84 16262 1 . LEU 85 85 16262 1 . ASN 86 86 16262 1 . SER 87 87 16262 1 . PHE 88 88 16262 1 . GLU 89 89 16262 1 . HIS 90 90 16262 1 . GLU 91 91 16262 1 . PHE 92 92 16262 1 . LEU 93 93 16262 1 . SER 94 94 16262 1 . LYS 95 95 16262 1 . ARG 96 96 16262 1 . LEU 97 97 16262 1 . SER 98 98 16262 1 . LYS 99 99 16262 1 . ALA 100 100 16262 1 . ARG 101 101 16262 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 16262 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $p68N . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 16262 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 16262 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $p68N . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . . . . pBG100 . . . . . . 16262 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16262 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 p68N '[U-100% 13C; U-100% 15N]' . . 1 $p68N . . 0.75 . . mM . . . . 16262 1 2 NACL 'natural abundance' . . . . . . 50 . . mM . . . . 16262 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16262 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 16262 1 pH 6.5 . pH 16262 1 pressure 1.0 . atm 16262 1 temperature 298 . K 16262 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16262 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16262 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16262 1 'structure solution' 16262 1 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 16262 _Software.ID 2 _Software.Name AMBER _Software.Version 9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm' . . 16262 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16262 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16262 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16262 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 16262 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 16262 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16262 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16262 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16262 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16262 1 5 '3D H(CC)(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16262 1 6 '3D (H)CC(CO)NH TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16262 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16262 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 16262 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16262 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 16262 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16262 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16262 1 2 '3D HNCACB' . . . 16262 1 3 '3D CBCA(CO)NH' . . . 16262 1 4 '3D HNCO' . . . 16262 1 5 '3D H(CC)(CO)NH TOCSY' . . . 16262 1 6 '3D (H)CC(CO)NH TOCSY' . . . 16262 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 24 24 MET H H 1 8.364 0.001 . 1 . . . . 1 M H . 16262 1 2 . 1 1 24 24 MET HA H 1 4.524 0.001 . 1 . . . . 1 M HA . 16262 1 3 . 1 1 24 24 MET HB2 H 1 2.115 0.020 . 2 . . . . 1 M HB . 16262 1 4 . 1 1 24 24 MET HB3 H 1 2.115 0.020 . 2 . . . . 1 M HB . 16262 1 5 . 1 1 24 24 MET HE1 H 1 2.082 0.020 . 1 . . . . 1 M HE . 16262 1 6 . 1 1 24 24 MET HE2 H 1 2.082 0.020 . 1 . . . . 1 M HE . 16262 1 7 . 1 1 24 24 MET HE3 H 1 2.082 0.020 . 1 . . . . 1 M HE . 16262 1 8 . 1 1 24 24 MET HG2 H 1 2.575 0.001 . 2 . . . . 1 M HG . 16262 1 9 . 1 1 24 24 MET HG3 H 1 2.575 0.001 . 2 . . . . 1 M HG . 16262 1 10 . 1 1 24 24 MET CA C 13 56.015 0.038 . 1 . . . . 1 M CA . 16262 1 11 . 1 1 24 24 MET CB C 13 33.246 0.400 . 1 . . . . 1 M CB . 16262 1 12 . 1 1 24 24 MET CG C 13 32.390 0.190 . 1 . . . . 1 M CG . 16262 1 13 . 1 1 24 24 MET N N 15 122.037 0.003 . 1 . . . . 1 M N . 16262 1 14 . 1 1 25 25 SER H H 1 8.338 0.020 . 1 . . . . 2 S H . 16262 1 15 . 1 1 25 25 SER HA H 1 4.413 0.020 . 1 . . . . 2 S HA . 16262 1 16 . 1 1 25 25 SER HB2 H 1 3.965 0.020 . 2 . . . . 2 S HB . 16262 1 17 . 1 1 25 25 SER HB3 H 1 3.965 0.020 . 2 . . . . 2 S HB . 16262 1 18 . 1 1 25 25 SER CA C 13 58.674 0.400 . 1 . . . . 2 S CA . 16262 1 19 . 1 1 25 25 SER CB C 13 64.188 0.400 . 1 . . . . 2 S CB . 16262 1 20 . 1 1 25 25 SER N N 15 117.133 0.018 . 1 . . . . 2 S N . 16262 1 21 . 1 1 26 26 ALA H H 1 8.219 0.001 . 1 . . . . 3 A H . 16262 1 22 . 1 1 26 26 ALA HA H 1 4.401 0.001 . 1 . . . . 3 A HA . 16262 1 23 . 1 1 26 26 ALA HB1 H 1 1.417 0.020 . 1 . . . . 3 A HB . 16262 1 24 . 1 1 26 26 ALA HB2 H 1 1.417 0.020 . 1 . . . . 3 A HB . 16262 1 25 . 1 1 26 26 ALA HB3 H 1 1.417 0.020 . 1 . . . . 3 A HB . 16262 1 26 . 1 1 26 26 ALA CA C 13 53.434 0.052 . 1 . . . . 3 A CA . 16262 1 27 . 1 1 26 26 ALA CB C 13 19.741 0.017 . 1 . . . . 3 A CB . 16262 1 28 . 1 1 26 26 ALA N N 15 124.670 0.073 . 1 . . . . 3 A N . 16262 1 29 . 1 1 27 27 SER H H 1 8.886 0.003 . 1 . . . . 4 S H . 16262 1 30 . 1 1 27 27 SER HA H 1 4.532 0.004 . 1 . . . . 4 S HA . 16262 1 31 . 1 1 27 27 SER HB2 H 1 3.890 0.020 . 2 . . . . 4 S HB2 . 16262 1 32 . 1 1 27 27 SER HB3 H 1 4.014 0.020 . 2 . . . . 4 S HB3 . 16262 1 33 . 1 1 27 27 SER CA C 13 58.525 0.086 . 1 . . . . 4 S CA . 16262 1 34 . 1 1 27 27 SER CB C 13 64.272 0.045 . 1 . . . . 4 S CB . 16262 1 35 . 1 1 27 27 SER N N 15 114.807 0.039 . 1 . . . . 4 S N . 16262 1 36 . 1 1 28 28 ALA H H 1 8.565 0.020 . 1 . . . . 5 A H . 16262 1 37 . 1 1 28 28 ALA HA H 1 3.814 0.001 . 1 . . . . 5 A HA . 16262 1 38 . 1 1 28 28 ALA HB1 H 1 1.451 0.020 . 1 . . . . 5 A HB . 16262 1 39 . 1 1 28 28 ALA HB2 H 1 1.451 0.020 . 1 . . . . 5 A HB . 16262 1 40 . 1 1 28 28 ALA HB3 H 1 1.451 0.020 . 1 . . . . 5 A HB . 16262 1 41 . 1 1 28 28 ALA CA C 13 55.317 0.006 . 1 . . . . 5 A CA . 16262 1 42 . 1 1 28 28 ALA CB C 13 18.401 0.400 . 1 . . . . 5 A CB . 16262 1 43 . 1 1 28 28 ALA N N 15 126.531 0.009 . 1 . . . . 5 A N . 16262 1 44 . 1 1 29 29 GLN H H 1 8.255 0.001 . 1 . . . . 6 Q H . 16262 1 45 . 1 1 29 29 GLN HA H 1 4.014 0.001 . 1 . . . . 6 Q HA . 16262 1 46 . 1 1 29 29 GLN HB2 H 1 2.038 0.020 . 2 . . . . 6 Q HB2 . 16262 1 47 . 1 1 29 29 GLN HB3 H 1 2.135 0.020 . 2 . . . . 6 Q HB3 . 16262 1 48 . 1 1 29 29 GLN HG2 H 1 2.421 0.007 . 2 . . . . 6 Q HG . 16262 1 49 . 1 1 29 29 GLN HG3 H 1 2.421 0.007 . 2 . . . . 6 Q HG . 16262 1 50 . 1 1 29 29 GLN CA C 13 59.265 0.069 . 1 . . . . 6 Q CA . 16262 1 51 . 1 1 29 29 GLN CB C 13 28.604 0.013 . 1 . . . . 6 Q CB . 16262 1 52 . 1 1 29 29 GLN CG C 13 34.025 0.400 . 1 . . . . 6 Q CG . 16262 1 53 . 1 1 29 29 GLN N N 15 117.466 0.004 . 1 . . . . 6 Q N . 16262 1 54 . 1 1 29 29 GLN NE2 N 15 112.438 0.400 . 1 . . . . 6 Q NE2 . 16262 1 55 . 1 1 30 30 GLN H H 1 7.857 0.001 . 1 . . . . 7 Q H . 16262 1 56 . 1 1 30 30 GLN HA H 1 4.091 0.020 . 1 . . . . 7 Q HA . 16262 1 57 . 1 1 30 30 GLN HB2 H 1 2.143 0.020 . 2 . . . . 7 Q HB2 . 16262 1 58 . 1 1 30 30 GLN HB3 H 1 2.211 0.020 . 2 . . . . 7 Q HB3 . 16262 1 59 . 1 1 30 30 GLN HE21 H 1 6.833 0.020 . 2 . . . . 7 Q HE21 . 16262 1 60 . 1 1 30 30 GLN HE22 H 1 7.745 0.020 . 2 . . . . 7 Q HE22 . 16262 1 61 . 1 1 30 30 GLN HG2 H 1 2.414 0.020 . 2 . . . . 7 Q HG . 16262 1 62 . 1 1 30 30 GLN HG3 H 1 2.414 0.020 . 2 . . . . 7 Q HG . 16262 1 63 . 1 1 30 30 GLN CA C 13 58.683 0.006 . 1 . . . . 7 Q CA . 16262 1 64 . 1 1 30 30 GLN CB C 13 28.602 0.400 . 1 . . . . 7 Q CB . 16262 1 65 . 1 1 30 30 GLN CG C 13 34.078 0.400 . 1 . . . . 7 Q CG . 16262 1 66 . 1 1 30 30 GLN N N 15 119.254 0.010 . 1 . . . . 7 Q N . 16262 1 67 . 1 1 30 30 GLN NE2 N 15 112.880 0.400 . 1 . . . . 7 Q NE2 . 16262 1 68 . 1 1 31 31 LEU H H 1 8.346 0.001 . 1 . . . . 8 L H . 16262 1 69 . 1 1 31 31 LEU HA H 1 3.865 0.002 . 1 . . . . 8 L HA . 16262 1 70 . 1 1 31 31 LEU HB2 H 1 1.355 0.001 . 2 . . . . 8 L HB2 . 16262 1 71 . 1 1 31 31 LEU HB3 H 1 1.962 0.002 . 2 . . . . 8 L HB3 . 16262 1 72 . 1 1 31 31 LEU HD11 H 1 0.856 0.020 . 1 . . . . 8 L HD . 16262 1 73 . 1 1 31 31 LEU HD12 H 1 0.856 0.020 . 1 . . . . 8 L HD . 16262 1 74 . 1 1 31 31 LEU HD13 H 1 0.856 0.020 . 1 . . . . 8 L HD . 16262 1 75 . 1 1 31 31 LEU HD21 H 1 0.856 0.020 . 1 . . . . 8 L HD . 16262 1 76 . 1 1 31 31 LEU HD22 H 1 0.856 0.020 . 1 . . . . 8 L HD . 16262 1 77 . 1 1 31 31 LEU HD23 H 1 0.856 0.020 . 1 . . . . 8 L HD . 16262 1 78 . 1 1 31 31 LEU HG H 1 1.741 0.020 . 1 . . . . 8 L HG . 16262 1 79 . 1 1 31 31 LEU CA C 13 58.967 0.042 . 1 . . . . 8 L CA . 16262 1 80 . 1 1 31 31 LEU CB C 13 42.365 0.058 . 1 . . . . 8 L CB . 16262 1 81 . 1 1 31 31 LEU CD1 C 13 25.347 0.400 . 2 . . . . 8 L CD1 . 16262 1 82 . 1 1 31 31 LEU CD2 C 13 24.789 0.400 . 2 . . . . 8 L CD2 . 16262 1 83 . 1 1 31 31 LEU CG C 13 28.358 0.400 . 1 . . . . 8 L CG . 16262 1 84 . 1 1 31 31 LEU N N 15 120.591 0.016 . 1 . . . . 8 L N . 16262 1 85 . 1 1 32 32 ALA H H 1 8.324 0.001 . 1 . . . . 9 A H . 16262 1 86 . 1 1 32 32 ALA HA H 1 3.999 0.020 . 1 . . . . 9 A HA . 16262 1 87 . 1 1 32 32 ALA HB1 H 1 1.530 0.001 . 1 . . . . 9 A HB . 16262 1 88 . 1 1 32 32 ALA HB2 H 1 1.530 0.001 . 1 . . . . 9 A HB . 16262 1 89 . 1 1 32 32 ALA HB3 H 1 1.530 0.001 . 1 . . . . 9 A HB . 16262 1 90 . 1 1 32 32 ALA CA C 13 55.669 0.016 . 1 . . . . 9 A CA . 16262 1 91 . 1 1 32 32 ALA CB C 13 17.953 0.010 . 1 . . . . 9 A CB . 16262 1 92 . 1 1 32 32 ALA N N 15 120.143 0.023 . 1 . . . . 9 A N . 16262 1 93 . 1 1 33 33 GLU H H 1 7.897 0.002 . 1 . . . . 10 E H . 16262 1 94 . 1 1 33 33 GLU HA H 1 4.014 0.020 . 1 . . . . 10 E HA . 16262 1 95 . 1 1 33 33 GLU HB2 H 1 2.122 0.020 . 2 . . . . 10 E HB2 . 16262 1 96 . 1 1 33 33 GLU HB3 H 1 2.209 0.020 . 2 . . . . 10 E HB3 . 16262 1 97 . 1 1 33 33 GLU HG2 H 1 2.479 0.020 . 2 . . . . 10 E HG . 16262 1 98 . 1 1 33 33 GLU HG3 H 1 2.479 0.020 . 2 . . . . 10 E HG . 16262 1 99 . 1 1 33 33 GLU CA C 13 59.517 0.400 . 1 . . . . 10 E CA . 16262 1 100 . 1 1 33 33 GLU CB C 13 29.444 0.400 . 1 . . . . 10 E CB . 16262 1 101 . 1 1 33 33 GLU CG C 13 36.312 0.400 . 1 . . . . 10 E CG . 16262 1 102 . 1 1 33 33 GLU N N 15 118.165 0.033 . 1 . . . . 10 E N . 16262 1 103 . 1 1 34 34 GLU H H 1 8.139 0.020 . 1 . . . . 11 E H . 16262 1 104 . 1 1 34 34 GLU HA H 1 4.200 0.001 . 1 . . . . 11 E HA . 16262 1 105 . 1 1 34 34 GLU HB2 H 1 2.203 0.020 . 2 . . . . 11 E HB . 16262 1 106 . 1 1 34 34 GLU HB3 H 1 2.203 0.020 . 2 . . . . 11 E HB . 16262 1 107 . 1 1 34 34 GLU HG2 H 1 2.609 0.020 . 2 . . . . 11 E HG . 16262 1 108 . 1 1 34 34 GLU HG3 H 1 2.609 0.020 . 2 . . . . 11 E HG . 16262 1 109 . 1 1 34 34 GLU CA C 13 58.757 0.040 . 1 . . . . 11 E CA . 16262 1 110 . 1 1 34 34 GLU CB C 13 29.108 0.044 . 1 . . . . 11 E CB . 16262 1 111 . 1 1 34 34 GLU CG C 13 34.851 0.400 . 1 . . . . 11 E CG . 16262 1 112 . 1 1 34 34 GLU N N 15 119.368 0.009 . 1 . . . . 11 E N . 16262 1 113 . 1 1 35 35 LEU H H 1 8.438 0.020 . 1 . . . . 12 L H . 16262 1 114 . 1 1 35 35 LEU HA H 1 4.053 0.001 . 1 . . . . 12 L HA . 16262 1 115 . 1 1 35 35 LEU HB2 H 1 1.940 0.004 . 2 . . . . 12 L HB . 16262 1 116 . 1 1 35 35 LEU HB3 H 1 1.940 0.004 . 2 . . . . 12 L HB . 16262 1 117 . 1 1 35 35 LEU HD11 H 1 0.691 0.001 . 2 . . . . 12 L HD1 . 16262 1 118 . 1 1 35 35 LEU HD12 H 1 0.691 0.001 . 2 . . . . 12 L HD1 . 16262 1 119 . 1 1 35 35 LEU HD13 H 1 0.691 0.001 . 2 . . . . 12 L HD1 . 16262 1 120 . 1 1 35 35 LEU HD21 H 1 0.731 0.020 . 2 . . . . 12 L HD2 . 16262 1 121 . 1 1 35 35 LEU HD22 H 1 0.731 0.020 . 2 . . . . 12 L HD2 . 16262 1 122 . 1 1 35 35 LEU HD23 H 1 0.731 0.020 . 2 . . . . 12 L HD2 . 16262 1 123 . 1 1 35 35 LEU HG H 1 1.775 0.020 . 1 . . . . 12 L HG . 16262 1 124 . 1 1 35 35 LEU CA C 13 58.534 0.086 . 1 . . . . 12 L CA . 16262 1 125 . 1 1 35 35 LEU CB C 13 41.294 0.071 . 1 . . . . 12 L CB . 16262 1 126 . 1 1 35 35 LEU CD1 C 13 26.280 0.027 . 2 . . . . 12 L CD1 . 16262 1 127 . 1 1 35 35 LEU CD2 C 13 24.006 0.028 . 2 . . . . 12 L CD2 . 16262 1 128 . 1 1 35 35 LEU CG C 13 26.112 0.400 . 1 . . . . 12 L CG . 16262 1 129 . 1 1 35 35 LEU N N 15 118.414 0.022 . 1 . . . . 12 L N . 16262 1 130 . 1 1 36 36 GLN H H 1 7.904 0.002 . 1 . . . . 13 Q H . 16262 1 131 . 1 1 36 36 GLN HA H 1 4.085 0.020 . 1 . . . . 13 Q HA . 16262 1 132 . 1 1 36 36 GLN HB2 H 1 2.228 0.020 . 2 . . . . 13 Q HB . 16262 1 133 . 1 1 36 36 GLN HB3 H 1 2.228 0.020 . 2 . . . . 13 Q HB . 16262 1 134 . 1 1 36 36 GLN HE21 H 1 6.819 0.020 . 2 . . . . 13 Q HE21 . 16262 1 135 . 1 1 36 36 GLN HE22 H 1 7.357 0.020 . 2 . . . . 13 Q HE22 . 16262 1 136 . 1 1 36 36 GLN HG2 H 1 2.438 0.020 . 2 . . . . 13 Q HG2 . 16262 1 137 . 1 1 36 36 GLN HG3 H 1 2.577 0.010 . 2 . . . . 13 Q HG3 . 16262 1 138 . 1 1 36 36 GLN CA C 13 58.831 0.015 . 1 . . . . 13 Q CA . 16262 1 139 . 1 1 36 36 GLN CB C 13 28.358 0.400 . 1 . . . . 13 Q CB . 16262 1 140 . 1 1 36 36 GLN CG C 13 34.374 0.076 . 1 . . . . 13 Q CG . 16262 1 141 . 1 1 36 36 GLN N N 15 118.183 0.029 . 1 . . . . 13 Q N . 16262 1 142 . 1 1 36 36 GLN NE2 N 15 111.273 0.400 . 1 . . . . 13 Q NE2 . 16262 1 143 . 1 1 37 37 ILE H H 1 7.722 0.002 . 1 . . . . 14 I H . 16262 1 144 . 1 1 37 37 ILE HA H 1 3.652 0.001 . 1 . . . . 14 I HA . 16262 1 145 . 1 1 37 37 ILE HB H 1 1.879 0.001 . 1 . . . . 14 I HB . 16262 1 146 . 1 1 37 37 ILE HD11 H 1 0.780 0.020 . 1 . . . . 14 I HD1 . 16262 1 147 . 1 1 37 37 ILE HD12 H 1 0.780 0.020 . 1 . . . . 14 I HD1 . 16262 1 148 . 1 1 37 37 ILE HD13 H 1 0.780 0.020 . 1 . . . . 14 I HD1 . 16262 1 149 . 1 1 37 37 ILE HG12 H 1 1.612 0.001 . 2 . . . . 14 I HG12 . 16262 1 150 . 1 1 37 37 ILE HG13 H 1 1.098 0.003 . 2 . . . . 14 I HG13 . 16262 1 151 . 1 1 37 37 ILE HG21 H 1 0.377 0.020 . 1 . . . . 14 I HG2 . 16262 1 152 . 1 1 37 37 ILE HG22 H 1 0.377 0.020 . 1 . . . . 14 I HG2 . 16262 1 153 . 1 1 37 37 ILE HG23 H 1 0.377 0.020 . 1 . . . . 14 I HG2 . 16262 1 154 . 1 1 37 37 ILE CA C 13 64.578 0.020 . 1 . . . . 14 I CA . 16262 1 155 . 1 1 37 37 ILE CB C 13 37.444 0.035 . 1 . . . . 14 I CB . 16262 1 156 . 1 1 37 37 ILE CD1 C 13 12.784 0.400 . 1 . . . . 14 I CD1 . 16262 1 157 . 1 1 37 37 ILE CG1 C 13 28.804 0.036 . 1 . . . . 14 I CG1 . 16262 1 158 . 1 1 37 37 ILE CG2 C 13 16.653 0.400 . 1 . . . . 14 I CG2 . 16262 1 159 . 1 1 37 37 ILE N N 15 121.809 0.108 . 1 . . . . 14 I N . 16262 1 160 . 1 1 38 38 PHE H H 1 7.284 0.001 . 1 . . . . 15 F H . 16262 1 161 . 1 1 38 38 PHE HA H 1 4.460 0.020 . 1 . . . . 15 F HA . 16262 1 162 . 1 1 38 38 PHE HB2 H 1 2.692 0.020 . 2 . . . . 15 F HB2 . 16262 1 163 . 1 1 38 38 PHE HB3 H 1 3.424 0.002 . 2 . . . . 15 F HB3 . 16262 1 164 . 1 1 38 38 PHE HD1 H 1 7.349 0.003 . 3 . . . . 15 F HD . 16262 1 165 . 1 1 38 38 PHE HD2 H 1 7.349 0.003 . 3 . . . . 15 F HD . 16262 1 166 . 1 1 38 38 PHE HE1 H 1 7.245 0.003 . 3 . . . . 15 F HE . 16262 1 167 . 1 1 38 38 PHE HE2 H 1 7.245 0.003 . 3 . . . . 15 F HE . 16262 1 168 . 1 1 38 38 PHE HZ H 1 7.308 0.020 . 1 . . . . 15 F HZ . 16262 1 169 . 1 1 38 38 PHE CA C 13 58.795 0.400 . 1 . . . . 15 F CA . 16262 1 170 . 1 1 38 38 PHE CB C 13 39.773 0.035 . 1 . . . . 15 F CB . 16262 1 171 . 1 1 38 38 PHE N N 15 116.902 0.021 . 1 . . . . 15 F N . 16262 1 172 . 1 1 39 39 GLY H H 1 7.932 0.001 . 1 . . . . 16 G H . 16262 1 173 . 1 1 39 39 GLY HA2 H 1 3.840 0.020 . 2 . . . . 16 G HA2 . 16262 1 174 . 1 1 39 39 GLY HA3 H 1 4.043 0.020 . 2 . . . . 16 G HA3 . 16262 1 175 . 1 1 39 39 GLY CA C 13 46.073 0.038 . 1 . . . . 16 G CA . 16262 1 176 . 1 1 39 39 GLY N N 15 108.135 0.026 . 1 . . . . 16 G N . 16262 1 177 . 1 1 40 40 LEU H H 1 7.706 0.001 . 1 . . . . 17 L H . 16262 1 178 . 1 1 40 40 LEU HA H 1 4.535 0.003 . 1 . . . . 17 L HA . 16262 1 179 . 1 1 40 40 LEU HB2 H 1 1.327 0.020 . 2 . . . . 17 L HB2 . 16262 1 180 . 1 1 40 40 LEU HB3 H 1 1.584 0.001 . 2 . . . . 17 L HB3 . 16262 1 181 . 1 1 40 40 LEU HD11 H 1 0.768 0.020 . 2 . . . . 17 L HD1 . 16262 1 182 . 1 1 40 40 LEU HD12 H 1 0.768 0.020 . 2 . . . . 17 L HD1 . 16262 1 183 . 1 1 40 40 LEU HD13 H 1 0.768 0.020 . 2 . . . . 17 L HD1 . 16262 1 184 . 1 1 40 40 LEU HD21 H 1 0.775 0.020 . 2 . . . . 17 L HD2 . 16262 1 185 . 1 1 40 40 LEU HD22 H 1 0.775 0.020 . 2 . . . . 17 L HD2 . 16262 1 186 . 1 1 40 40 LEU HD23 H 1 0.775 0.020 . 2 . . . . 17 L HD2 . 16262 1 187 . 1 1 40 40 LEU HG H 1 1.542 0.020 . 1 . . . . 17 L HG . 16262 1 188 . 1 1 40 40 LEU CA C 13 54.075 0.129 . 1 . . . . 17 L CA . 16262 1 189 . 1 1 40 40 LEU CB C 13 43.468 0.045 . 1 . . . . 17 L CB . 16262 1 190 . 1 1 40 40 LEU CD1 C 13 23.645 0.400 . 2 . . . . 17 L CD1 . 16262 1 191 . 1 1 40 40 LEU CD2 C 13 24.810 0.400 . 2 . . . . 17 L CD2 . 16262 1 192 . 1 1 40 40 LEU CG C 13 26.848 0.400 . 1 . . . . 17 L CG . 16262 1 193 . 1 1 40 40 LEU N N 15 121.317 0.032 . 1 . . . . 17 L N . 16262 1 194 . 1 1 41 41 ASP H H 1 8.170 0.020 . 1 . . . . 18 D H . 16262 1 195 . 1 1 41 41 ASP HA H 1 4.608 0.001 . 1 . . . . 18 D HA . 16262 1 196 . 1 1 41 41 ASP HB2 H 1 2.554 0.002 . 2 . . . . 18 D HB2 . 16262 1 197 . 1 1 41 41 ASP HB3 H 1 2.651 0.002 . 2 . . . . 18 D HB3 . 16262 1 198 . 1 1 41 41 ASP CA C 13 53.914 0.096 . 1 . . . . 18 D CA . 16262 1 199 . 1 1 41 41 ASP CB C 13 41.976 0.056 . 1 . . . . 18 D CB . 16262 1 200 . 1 1 41 41 ASP N N 15 122.301 0.006 . 1 . . . . 18 D N . 16262 1 201 . 1 1 42 42 CYS H H 1 8.314 0.020 . 1 . . . . 19 C H . 16262 1 202 . 1 1 42 42 CYS HA H 1 4.665 0.020 . 1 . . . . 19 C HA . 16262 1 203 . 1 1 42 42 CYS HB2 H 1 2.657 0.020 . 2 . . . . 19 C HB2 . 16262 1 204 . 1 1 42 42 CYS HB3 H 1 2.808 0.020 . 2 . . . . 19 C HB3 . 16262 1 205 . 1 1 42 42 CYS CA C 13 57.902 0.400 . 1 . . . . 19 C CA . 16262 1 206 . 1 1 42 42 CYS CB C 13 30.130 0.023 . 1 . . . . 19 C CB . 16262 1 207 . 1 1 42 42 CYS N N 15 119.151 0.011 . 1 . . . . 19 C N . 16262 1 208 . 1 1 43 43 GLU H H 1 8.427 0.020 . 1 . . . . 20 E H . 16262 1 209 . 1 1 43 43 GLU HA H 1 4.352 0.003 . 1 . . . . 20 E HA . 16262 1 210 . 1 1 43 43 GLU HB2 H 1 2.110 0.020 . 2 . . . . 20 E HB2 . 16262 1 211 . 1 1 43 43 GLU HB3 H 1 2.255 0.005 . 2 . . . . 20 E HB3 . 16262 1 212 . 1 1 43 43 GLU HG2 H 1 2.397 0.002 . 2 . . . . 20 E HG . 16262 1 213 . 1 1 43 43 GLU HG3 H 1 2.397 0.002 . 2 . . . . 20 E HG . 16262 1 214 . 1 1 43 43 GLU CA C 13 56.539 0.060 . 1 . . . . 20 E CA . 16262 1 215 . 1 1 43 43 GLU CB C 13 30.118 0.098 . 1 . . . . 20 E CB . 16262 1 216 . 1 1 43 43 GLU CG C 13 36.505 0.011 . 1 . . . . 20 E CG . 16262 1 217 . 1 1 43 43 GLU N N 15 122.956 0.033 . 1 . . . . 20 E N . 16262 1 218 . 1 1 44 44 GLU H H 1 9.017 0.020 . 1 . . . . 21 E H . 16262 1 219 . 1 1 44 44 GLU HA H 1 3.879 0.003 . 1 . . . . 21 E HA . 16262 1 220 . 1 1 44 44 GLU HB2 H 1 2.135 0.020 . 2 . . . . 21 E HB2 . 16262 1 221 . 1 1 44 44 GLU HB3 H 1 2.070 0.020 . 2 . . . . 21 E HB3 . 16262 1 222 . 1 1 44 44 GLU HG2 H 1 2.360 0.020 . 2 . . . . 21 E HG . 16262 1 223 . 1 1 44 44 GLU HG3 H 1 2.360 0.020 . 2 . . . . 21 E HG . 16262 1 224 . 1 1 44 44 GLU CA C 13 60.413 0.188 . 1 . . . . 21 E CA . 16262 1 225 . 1 1 44 44 GLU CB C 13 29.591 0.127 . 1 . . . . 21 E CB . 16262 1 226 . 1 1 44 44 GLU CG C 13 36.529 0.400 . 1 . . . . 21 E CG . 16262 1 227 . 1 1 44 44 GLU N N 15 124.451 0.010 . 1 . . . . 21 E N . 16262 1 228 . 1 1 45 45 ALA H H 1 8.890 0.020 . 1 . . . . 22 A H . 16262 1 229 . 1 1 45 45 ALA HA H 1 4.182 0.020 . 1 . . . . 22 A HA . 16262 1 230 . 1 1 45 45 ALA HB1 H 1 1.449 0.020 . 1 . . . . 22 A HB . 16262 1 231 . 1 1 45 45 ALA HB2 H 1 1.449 0.020 . 1 . . . . 22 A HB . 16262 1 232 . 1 1 45 45 ALA HB3 H 1 1.449 0.020 . 1 . . . . 22 A HB . 16262 1 233 . 1 1 45 45 ALA CA C 13 55.150 0.033 . 1 . . . . 22 A CA . 16262 1 234 . 1 1 45 45 ALA CB C 13 18.450 0.400 . 1 . . . . 22 A CB . 16262 1 235 . 1 1 45 45 ALA N N 15 119.494 0.016 . 1 . . . . 22 A N . 16262 1 236 . 1 1 46 46 LEU H H 1 7.389 0.020 . 1 . . . . 23 L H . 16262 1 237 . 1 1 46 46 LEU HA H 1 4.150 0.020 . 1 . . . . 23 L HA . 16262 1 238 . 1 1 46 46 LEU HB2 H 1 1.378 0.020 . 2 . . . . 23 L HB2 . 16262 1 239 . 1 1 46 46 LEU HB3 H 1 1.934 0.020 . 2 . . . . 23 L HB3 . 16262 1 240 . 1 1 46 46 LEU HD11 H 1 0.855 0.020 . 2 . . . . 23 L HD1 . 16262 1 241 . 1 1 46 46 LEU HD12 H 1 0.855 0.020 . 2 . . . . 23 L HD1 . 16262 1 242 . 1 1 46 46 LEU HD13 H 1 0.855 0.020 . 2 . . . . 23 L HD1 . 16262 1 243 . 1 1 46 46 LEU HD21 H 1 0.748 0.001 . 2 . . . . 23 L HD2 . 16262 1 244 . 1 1 46 46 LEU HD22 H 1 0.748 0.001 . 2 . . . . 23 L HD2 . 16262 1 245 . 1 1 46 46 LEU HD23 H 1 0.748 0.001 . 2 . . . . 23 L HD2 . 16262 1 246 . 1 1 46 46 LEU HG H 1 1.692 0.002 . 1 . . . . 23 L HG . 16262 1 247 . 1 1 46 46 LEU CA C 13 56.680 0.400 . 1 . . . . 23 L CA . 16262 1 248 . 1 1 46 46 LEU CB C 13 41.285 0.031 . 1 . . . . 23 L CB . 16262 1 249 . 1 1 46 46 LEU CD1 C 13 25.621 0.400 . 2 . . . . 23 L CD1 . 16262 1 250 . 1 1 46 46 LEU CD2 C 13 22.966 0.052 . 2 . . . . 23 L CD2 . 16262 1 251 . 1 1 46 46 LEU CG C 13 27.545 0.196 . 1 . . . . 23 L CG . 16262 1 252 . 1 1 46 46 LEU N N 15 116.660 0.011 . 1 . . . . 23 L N . 16262 1 253 . 1 1 47 47 ILE H H 1 7.509 0.020 . 1 . . . . 24 I H . 16262 1 254 . 1 1 47 47 ILE HA H 1 3.565 0.020 . 1 . . . . 24 I HA . 16262 1 255 . 1 1 47 47 ILE HB H 1 2.159 0.020 . 1 . . . . 24 I HB . 16262 1 256 . 1 1 47 47 ILE HD11 H 1 0.760 0.020 . 1 . . . . 24 I HD1 . 16262 1 257 . 1 1 47 47 ILE HD12 H 1 0.760 0.020 . 1 . . . . 24 I HD1 . 16262 1 258 . 1 1 47 47 ILE HD13 H 1 0.760 0.020 . 1 . . . . 24 I HD1 . 16262 1 259 . 1 1 47 47 ILE HG12 H 1 1.547 0.020 . 2 . . . . 24 I HG12 . 16262 1 260 . 1 1 47 47 ILE HG13 H 1 1.058 0.020 . 2 . . . . 24 I HG13 . 16262 1 261 . 1 1 47 47 ILE HG21 H 1 0.974 0.020 . 1 . . . . 24 I HG2 . 16262 1 262 . 1 1 47 47 ILE HG22 H 1 0.974 0.020 . 1 . . . . 24 I HG2 . 16262 1 263 . 1 1 47 47 ILE HG23 H 1 0.974 0.020 . 1 . . . . 24 I HG2 . 16262 1 264 . 1 1 47 47 ILE CA C 13 64.565 0.011 . 1 . . . . 24 I CA . 16262 1 265 . 1 1 47 47 ILE CB C 13 36.396 0.049 . 1 . . . . 24 I CB . 16262 1 266 . 1 1 47 47 ILE CD1 C 13 11.827 0.033 . 1 . . . . 24 I CD1 . 16262 1 267 . 1 1 47 47 ILE CG1 C 13 28.758 0.083 . 1 . . . . 24 I CG1 . 16262 1 268 . 1 1 47 47 ILE CG2 C 13 18.585 0.028 . 1 . . . . 24 I CG2 . 16262 1 269 . 1 1 47 47 ILE N N 15 120.492 0.018 . 1 . . . . 24 I N . 16262 1 270 . 1 1 48 48 GLU H H 1 8.144 0.001 . 1 . . . . 25 E H . 16262 1 271 . 1 1 48 48 GLU HA H 1 3.949 0.020 . 1 . . . . 25 E HA . 16262 1 272 . 1 1 48 48 GLU HB2 H 1 2.090 0.020 . 2 . . . . 25 E HB . 16262 1 273 . 1 1 48 48 GLU HB3 H 1 2.090 0.020 . 2 . . . . 25 E HB . 16262 1 274 . 1 1 48 48 GLU HG2 H 1 2.268 0.020 . 2 . . . . 25 E HG2 . 16262 1 275 . 1 1 48 48 GLU HG3 H 1 2.432 0.020 . 2 . . . . 25 E HG3 . 16262 1 276 . 1 1 48 48 GLU CA C 13 59.746 0.021 . 1 . . . . 25 E CA . 16262 1 277 . 1 1 48 48 GLU CB C 13 29.117 0.400 . 1 . . . . 25 E CB . 16262 1 278 . 1 1 48 48 GLU CG C 13 35.990 0.041 . 1 . . . . 25 E CG . 16262 1 279 . 1 1 48 48 GLU N N 15 117.585 0.035 . 1 . . . . 25 E N . 16262 1 280 . 1 1 49 49 LYS H H 1 7.336 0.001 . 1 . . . . 26 K H . 16262 1 281 . 1 1 49 49 LYS HA H 1 4.298 0.020 . 1 . . . . 26 K HA . 16262 1 282 . 1 1 49 49 LYS HB2 H 1 1.989 0.001 . 2 . . . . 26 K HB2 . 16262 1 283 . 1 1 49 49 LYS HB3 H 1 2.086 0.001 . 2 . . . . 26 K HB3 . 16262 1 284 . 1 1 49 49 LYS HD2 H 1 1.873 0.020 . 2 . . . . 26 K HD2 . 16262 1 285 . 1 1 49 49 LYS HD3 H 1 1.746 0.020 . 2 . . . . 26 K HD3 . 16262 1 286 . 1 1 49 49 LYS HE2 H 1 3.007 0.001 . 2 . . . . 26 K HE2 . 16262 1 287 . 1 1 49 49 LYS HE3 H 1 2.863 0.001 . 2 . . . . 26 K HE3 . 16262 1 288 . 1 1 49 49 LYS HG2 H 1 1.397 0.020 . 2 . . . . 26 K HG2 . 16262 1 289 . 1 1 49 49 LYS HG3 H 1 1.618 0.001 . 2 . . . . 26 K HG3 . 16262 1 290 . 1 1 49 49 LYS CA C 13 58.096 0.400 . 1 . . . . 26 K CA . 16262 1 291 . 1 1 49 49 LYS CB C 13 30.475 0.573 . 1 . . . . 26 K CB . 16262 1 292 . 1 1 49 49 LYS CD C 13 28.204 0.187 . 1 . . . . 26 K CD . 16262 1 293 . 1 1 49 49 LYS CE C 13 42.149 0.025 . 1 . . . . 26 K CE . 16262 1 294 . 1 1 49 49 LYS CG C 13 24.890 0.092 . 1 . . . . 26 K CG . 16262 1 295 . 1 1 49 49 LYS N N 15 119.463 0.022 . 1 . . . . 26 K N . 16262 1 296 . 1 1 50 50 LEU H H 1 8.018 0.002 . 1 . . . . 27 L H . 16262 1 297 . 1 1 50 50 LEU HA H 1 4.104 0.020 . 1 . . . . 27 L HA . 16262 1 298 . 1 1 50 50 LEU HB2 H 1 1.460 0.004 . 2 . . . . 27 L HB2 . 16262 1 299 . 1 1 50 50 LEU HB3 H 1 2.155 0.001 . 2 . . . . 27 L HB3 . 16262 1 300 . 1 1 50 50 LEU HD11 H 1 0.791 0.001 . 2 . . . . 27 L HD1 . 16262 1 301 . 1 1 50 50 LEU HD12 H 1 0.791 0.001 . 2 . . . . 27 L HD1 . 16262 1 302 . 1 1 50 50 LEU HD13 H 1 0.791 0.001 . 2 . . . . 27 L HD1 . 16262 1 303 . 1 1 50 50 LEU HD21 H 1 0.836 0.020 . 2 . . . . 27 L HD2 . 16262 1 304 . 1 1 50 50 LEU HD22 H 1 0.836 0.020 . 2 . . . . 27 L HD2 . 16262 1 305 . 1 1 50 50 LEU HD23 H 1 0.836 0.020 . 2 . . . . 27 L HD2 . 16262 1 306 . 1 1 50 50 LEU HG H 1 1.788 0.001 . 1 . . . . 27 L HG . 16262 1 307 . 1 1 50 50 LEU CA C 13 58.477 0.400 . 1 . . . . 27 L CA . 16262 1 308 . 1 1 50 50 LEU CB C 13 42.791 0.134 . 1 . . . . 27 L CB . 16262 1 309 . 1 1 50 50 LEU CD1 C 13 25.694 0.038 . 2 . . . . 27 L CD1 . 16262 1 310 . 1 1 50 50 LEU CD2 C 13 24.734 0.400 . 2 . . . . 27 L CD2 . 16262 1 311 . 1 1 50 50 LEU CG C 13 27.431 0.021 . 1 . . . . 27 L CG . 16262 1 312 . 1 1 50 50 LEU N N 15 120.479 0.012 . 1 . . . . 27 L N . 16262 1 313 . 1 1 51 51 VAL H H 1 8.478 0.001 . 1 . . . . 28 V H . 16262 1 314 . 1 1 51 51 VAL HA H 1 3.404 0.002 . 1 . . . . 28 V HA . 16262 1 315 . 1 1 51 51 VAL HB H 1 2.357 0.001 . 1 . . . . 28 V HB . 16262 1 316 . 1 1 51 51 VAL HG11 H 1 0.972 0.001 . 2 . . . . 28 V HG1 . 16262 1 317 . 1 1 51 51 VAL HG12 H 1 0.972 0.001 . 2 . . . . 28 V HG1 . 16262 1 318 . 1 1 51 51 VAL HG13 H 1 0.972 0.001 . 2 . . . . 28 V HG1 . 16262 1 319 . 1 1 51 51 VAL HG21 H 1 0.987 0.020 . 2 . . . . 28 V HG2 . 16262 1 320 . 1 1 51 51 VAL HG22 H 1 0.987 0.020 . 2 . . . . 28 V HG2 . 16262 1 321 . 1 1 51 51 VAL HG23 H 1 0.987 0.020 . 2 . . . . 28 V HG2 . 16262 1 322 . 1 1 51 51 VAL CA C 13 67.627 0.008 . 1 . . . . 28 V CA . 16262 1 323 . 1 1 51 51 VAL CB C 13 31.591 0.011 . 1 . . . . 28 V CB . 16262 1 324 . 1 1 51 51 VAL CG1 C 13 21.816 0.070 . 2 . . . . 28 V CG1 . 16262 1 325 . 1 1 51 51 VAL CG2 C 13 23.112 0.400 . 2 . . . . 28 V CG2 . 16262 1 326 . 1 1 51 51 VAL N N 15 121.322 0.016 . 1 . . . . 28 V N . 16262 1 327 . 1 1 52 52 GLU H H 1 7.613 0.020 . 1 . . . . 29 E H . 16262 1 328 . 1 1 52 52 GLU HA H 1 4.033 0.020 . 1 . . . . 29 E HA . 16262 1 329 . 1 1 52 52 GLU HB2 H 1 2.265 0.020 . 2 . . . . 29 E HB . 16262 1 330 . 1 1 52 52 GLU HB3 H 1 2.265 0.020 . 2 . . . . 29 E HB . 16262 1 331 . 1 1 52 52 GLU HG2 H 1 2.494 0.020 . 2 . . . . 29 E HG . 16262 1 332 . 1 1 52 52 GLU HG3 H 1 2.494 0.020 . 2 . . . . 29 E HG . 16262 1 333 . 1 1 52 52 GLU CA C 13 59.622 0.400 . 1 . . . . 29 E CA . 16262 1 334 . 1 1 52 52 GLU CB C 13 29.291 0.400 . 1 . . . . 29 E CB . 16262 1 335 . 1 1 52 52 GLU CG C 13 36.341 0.400 . 1 . . . . 29 E CG . 16262 1 336 . 1 1 52 52 GLU N N 15 118.856 0.014 . 1 . . . . 29 E N . 16262 1 337 . 1 1 53 53 LEU H H 1 8.497 0.001 . 1 . . . . 30 L H . 16262 1 338 . 1 1 53 53 LEU HA H 1 4.294 0.020 . 1 . . . . 30 L HA . 16262 1 339 . 1 1 53 53 LEU HB2 H 1 1.368 0.020 . 2 . . . . 30 L HB2 . 16262 1 340 . 1 1 53 53 LEU HB3 H 1 2.270 0.002 . 2 . . . . 30 L HB3 . 16262 1 341 . 1 1 53 53 LEU HD11 H 1 0.944 0.020 . 1 . . . . 30 L HD . 16262 1 342 . 1 1 53 53 LEU HD12 H 1 0.944 0.020 . 1 . . . . 30 L HD . 16262 1 343 . 1 1 53 53 LEU HD13 H 1 0.944 0.020 . 1 . . . . 30 L HD . 16262 1 344 . 1 1 53 53 LEU HD21 H 1 0.944 0.020 . 1 . . . . 30 L HD . 16262 1 345 . 1 1 53 53 LEU HD22 H 1 0.944 0.020 . 1 . . . . 30 L HD . 16262 1 346 . 1 1 53 53 LEU HD23 H 1 0.944 0.020 . 1 . . . . 30 L HD . 16262 1 347 . 1 1 53 53 LEU HG H 1 2.097 0.020 . 1 . . . . 30 L HG . 16262 1 348 . 1 1 53 53 LEU CA C 13 58.240 0.400 . 1 . . . . 30 L CA . 16262 1 349 . 1 1 53 53 LEU CB C 13 42.127 0.014 . 1 . . . . 30 L CB . 16262 1 350 . 1 1 53 53 LEU CD1 C 13 22.951 0.047 . 2 . . . . 30 L CD1 . 16262 1 351 . 1 1 53 53 LEU CG C 13 25.368 0.400 . 1 . . . . 30 L CG . 16262 1 352 . 1 1 53 53 LEU N N 15 119.550 0.011 . 1 . . . . 30 L N . 16262 1 353 . 1 1 54 54 CYS H H 1 8.469 0.002 . 1 . . . . 31 C H . 16262 1 354 . 1 1 54 54 CYS HA H 1 3.936 0.020 . 1 . . . . 31 C HA . 16262 1 355 . 1 1 54 54 CYS HB2 H 1 3.207 0.020 . 2 . . . . 31 C HB2 . 16262 1 356 . 1 1 54 54 CYS HB3 H 1 3.364 0.020 . 2 . . . . 31 C HB3 . 16262 1 357 . 1 1 54 54 CYS CA C 13 65.524 0.011 . 1 . . . . 31 C CA . 16262 1 358 . 1 1 54 54 CYS CB C 13 26.943 0.040 . 1 . . . . 31 C CB . 16262 1 359 . 1 1 54 54 CYS N N 15 119.202 0.061 . 1 . . . . 31 C N . 16262 1 360 . 1 1 55 55 VAL H H 1 7.741 0.020 . 1 . . . . 32 V H . 16262 1 361 . 1 1 55 55 VAL HA H 1 3.696 0.020 . 1 . . . . 32 V HA . 16262 1 362 . 1 1 55 55 VAL HB H 1 2.199 0.020 . 1 . . . . 32 V HB . 16262 1 363 . 1 1 55 55 VAL HG11 H 1 0.977 0.020 . 2 . . . . 32 V HG1 . 16262 1 364 . 1 1 55 55 VAL HG12 H 1 0.977 0.020 . 2 . . . . 32 V HG1 . 16262 1 365 . 1 1 55 55 VAL HG13 H 1 0.977 0.020 . 2 . . . . 32 V HG1 . 16262 1 366 . 1 1 55 55 VAL HG21 H 1 1.088 0.020 . 2 . . . . 32 V HG2 . 16262 1 367 . 1 1 55 55 VAL HG22 H 1 1.088 0.020 . 2 . . . . 32 V HG2 . 16262 1 368 . 1 1 55 55 VAL HG23 H 1 1.088 0.020 . 2 . . . . 32 V HG2 . 16262 1 369 . 1 1 55 55 VAL CA C 13 66.079 0.052 . 1 . . . . 32 V CA . 16262 1 370 . 1 1 55 55 VAL CB C 13 32.066 0.038 . 1 . . . . 32 V CB . 16262 1 371 . 1 1 55 55 VAL CG1 C 13 21.499 0.400 . 2 . . . . 32 V CG1 . 16262 1 372 . 1 1 55 55 VAL CG2 C 13 22.271 0.001 . 2 . . . . 32 V CG2 . 16262 1 373 . 1 1 55 55 VAL N N 15 118.298 0.024 . 1 . . . . 32 V N . 16262 1 374 . 1 1 56 56 GLN H H 1 8.605 0.001 . 1 . . . . 33 Q H . 16262 1 375 . 1 1 56 56 GLN HA H 1 3.869 0.020 . 1 . . . . 33 Q HA . 16262 1 376 . 1 1 56 56 GLN HB2 H 1 1.743 0.001 . 2 . . . . 33 Q HB2 . 16262 1 377 . 1 1 56 56 GLN HB3 H 1 2.088 0.020 . 2 . . . . 33 Q HB3 . 16262 1 378 . 1 1 56 56 GLN HG2 H 1 1.825 0.001 . 2 . . . . 33 Q HG2 . 16262 1 379 . 1 1 56 56 GLN HG3 H 1 2.180 0.020 . 2 . . . . 33 Q HG3 . 16262 1 380 . 1 1 56 56 GLN CA C 13 58.921 0.400 . 1 . . . . 33 Q CA . 16262 1 381 . 1 1 56 56 GLN CB C 13 28.966 0.058 . 1 . . . . 33 Q CB . 16262 1 382 . 1 1 56 56 GLN CG C 13 33.095 0.150 . 1 . . . . 33 Q CG . 16262 1 383 . 1 1 56 56 GLN N N 15 119.678 0.038 . 1 . . . . 33 Q N . 16262 1 384 . 1 1 57 57 TYR H H 1 8.203 0.020 . 1 . . . . 34 Y H . 16262 1 385 . 1 1 57 57 TYR HA H 1 4.433 0.020 . 1 . . . . 34 Y HA . 16262 1 386 . 1 1 57 57 TYR HB2 H 1 2.641 0.001 . 2 . . . . 34 Y HB2 . 16262 1 387 . 1 1 57 57 TYR HB3 H 1 3.260 0.001 . 2 . . . . 34 Y HB3 . 16262 1 388 . 1 1 57 57 TYR HD1 H 1 7.253 0.020 . 3 . . . . 34 Y HD . 16262 1 389 . 1 1 57 57 TYR HD2 H 1 7.253 0.020 . 3 . . . . 34 Y HD . 16262 1 390 . 1 1 57 57 TYR HE1 H 1 6.593 0.020 . 3 . . . . 34 Y HE . 16262 1 391 . 1 1 57 57 TYR HE2 H 1 6.593 0.020 . 3 . . . . 34 Y HE . 16262 1 392 . 1 1 57 57 TYR CA C 13 59.136 0.400 . 1 . . . . 34 Y CA . 16262 1 393 . 1 1 57 57 TYR CB C 13 37.571 0.038 . 1 . . . . 34 Y CB . 16262 1 394 . 1 1 57 57 TYR N N 15 112.340 0.031 . 1 . . . . 34 Y N . 16262 1 395 . 1 1 58 58 GLY H H 1 7.714 0.001 . 1 . . . . 35 G H . 16262 1 396 . 1 1 58 58 GLY HA2 H 1 3.855 0.020 . 2 . . . . 35 G HA2 . 16262 1 397 . 1 1 58 58 GLY HA3 H 1 3.995 0.020 . 2 . . . . 35 G HA3 . 16262 1 398 . 1 1 58 58 GLY CA C 13 47.608 0.115 . 1 . . . . 35 G CA . 16262 1 399 . 1 1 58 58 GLY N N 15 112.175 0.053 . 1 . . . . 35 G N . 16262 1 400 . 1 1 59 59 GLN H H 1 8.385 0.001 . 1 . . . . 36 Q H . 16262 1 401 . 1 1 59 59 GLN HA H 1 4.747 0.020 . 1 . . . . 36 Q HA . 16262 1 402 . 1 1 59 59 GLN HB2 H 1 2.280 0.001 . 2 . . . . 36 Q HB2 . 16262 1 403 . 1 1 59 59 GLN HB3 H 1 2.387 0.020 . 2 . . . . 36 Q HB3 . 16262 1 404 . 1 1 59 59 GLN HG2 H 1 1.736 0.002 . 2 . . . . 36 Q HG . 16262 1 405 . 1 1 59 59 GLN HG3 H 1 1.736 0.002 . 2 . . . . 36 Q HG . 16262 1 406 . 1 1 59 59 GLN CA C 13 53.712 0.400 . 1 . . . . 36 Q CA . 16262 1 407 . 1 1 59 59 GLN CB C 13 33.319 0.216 . 1 . . . . 36 Q CB . 16262 1 408 . 1 1 59 59 GLN CG C 13 33.129 0.002 . 1 . . . . 36 Q CG . 16262 1 409 . 1 1 59 59 GLN N N 15 118.107 0.051 . 1 . . . . 36 Q N . 16262 1 410 . 1 1 60 60 ASN H H 1 8.419 0.001 . 1 . . . . 37 N H . 16262 1 411 . 1 1 60 60 ASN HA H 1 4.771 0.002 . 1 . . . . 37 N HA . 16262 1 412 . 1 1 60 60 ASN HB2 H 1 2.965 0.001 . 2 . . . . 37 N HB2 . 16262 1 413 . 1 1 60 60 ASN HB3 H 1 3.215 0.001 . 2 . . . . 37 N HB3 . 16262 1 414 . 1 1 60 60 ASN HD21 H 1 7.029 0.020 . 2 . . . . 37 N HD21 . 16262 1 415 . 1 1 60 60 ASN CA C 13 51.551 0.400 . 1 . . . . 37 N CA . 16262 1 416 . 1 1 60 60 ASN CB C 13 39.035 0.040 . 1 . . . . 37 N CB . 16262 1 417 . 1 1 60 60 ASN N N 15 119.032 0.054 . 1 . . . . 37 N N . 16262 1 418 . 1 1 60 60 ASN ND2 N 15 112.452 0.400 . 1 . . . . 37 N ND2 . 16262 1 419 . 1 1 61 61 GLU H H 1 10.198 0.001 . 1 . . . . 38 E H . 16262 1 420 . 1 1 61 61 GLU HA H 1 3.857 0.001 . 1 . . . . 38 E HA . 16262 1 421 . 1 1 61 61 GLU HB2 H 1 1.639 0.003 . 2 . . . . 38 E HB2 . 16262 1 422 . 1 1 61 61 GLU HB3 H 1 2.200 0.001 . 2 . . . . 38 E HB3 . 16262 1 423 . 1 1 61 61 GLU HG2 H 1 2.349 0.020 . 2 . . . . 38 E HG2 . 16262 1 424 . 1 1 61 61 GLU HG3 H 1 2.751 0.020 . 2 . . . . 38 E HG3 . 16262 1 425 . 1 1 61 61 GLU CA C 13 62.181 0.076 . 1 . . . . 38 E CA . 16262 1 426 . 1 1 61 61 GLU CB C 13 28.433 0.040 . 1 . . . . 38 E CB . 16262 1 427 . 1 1 61 61 GLU CG C 13 37.740 0.128 . 1 . . . . 38 E CG . 16262 1 428 . 1 1 61 61 GLU N N 15 120.365 0.024 . 1 . . . . 38 E N . 16262 1 429 . 1 1 62 62 GLU H H 1 8.743 0.001 . 1 . . . . 39 E H . 16262 1 430 . 1 1 62 62 GLU HA H 1 3.874 0.020 . 1 . . . . 39 E HA . 16262 1 431 . 1 1 62 62 GLU HB2 H 1 1.966 0.020 . 2 . . . . 39 E HB2 . 16262 1 432 . 1 1 62 62 GLU HB3 H 1 2.070 0.020 . 2 . . . . 39 E HB3 . 16262 1 433 . 1 1 62 62 GLU HG2 H 1 2.273 0.020 . 2 . . . . 39 E HG2 . 16262 1 434 . 1 1 62 62 GLU HG3 H 1 2.327 0.020 . 2 . . . . 39 E HG3 . 16262 1 435 . 1 1 62 62 GLU CA C 13 59.753 0.400 . 1 . . . . 39 E CA . 16262 1 436 . 1 1 62 62 GLU CB C 13 29.478 0.018 . 1 . . . . 39 E CB . 16262 1 437 . 1 1 62 62 GLU CG C 13 36.002 0.400 . 1 . . . . 39 E CG . 16262 1 438 . 1 1 62 62 GLU N N 15 118.639 0.014 . 1 . . . . 39 E N . 16262 1 439 . 1 1 63 63 GLY H H 1 8.433 0.001 . 1 . . . . 40 G H . 16262 1 440 . 1 1 63 63 GLY HA2 H 1 3.917 0.020 . 2 . . . . 40 G HA2 . 16262 1 441 . 1 1 63 63 GLY HA3 H 1 3.960 0.020 . 2 . . . . 40 G HA3 . 16262 1 442 . 1 1 63 63 GLY CA C 13 46.588 0.400 . 1 . . . . 40 G CA . 16262 1 443 . 1 1 63 63 GLY N N 15 109.306 0.006 . 1 . . . . 40 G N . 16262 1 444 . 1 1 64 64 MET H H 1 8.677 0.001 . 1 . . . . 41 M H . 16262 1 445 . 1 1 64 64 MET HA H 1 4.510 0.020 . 1 . . . . 41 M HA . 16262 1 446 . 1 1 64 64 MET HB2 H 1 2.184 0.001 . 2 . . . . 41 M HB2 . 16262 1 447 . 1 1 64 64 MET HB3 H 1 1.993 0.020 . 2 . . . . 41 M HB3 . 16262 1 448 . 1 1 64 64 MET HE1 H 1 1.957 0.020 . 1 . . . . 41 M HE . 16262 1 449 . 1 1 64 64 MET HE2 H 1 1.957 0.020 . 1 . . . . 41 M HE . 16262 1 450 . 1 1 64 64 MET HE3 H 1 1.957 0.020 . 1 . . . . 41 M HE . 16262 1 451 . 1 1 64 64 MET HG2 H 1 2.293 0.020 . 2 . . . . 41 M HG2 . 16262 1 452 . 1 1 64 64 MET HG3 H 1 2.774 0.020 . 2 . . . . 41 M HG3 . 16262 1 453 . 1 1 64 64 MET CA C 13 57.500 0.400 . 1 . . . . 41 M CA . 16262 1 454 . 1 1 64 64 MET CB C 13 32.234 0.237 . 1 . . . . 41 M CB . 16262 1 455 . 1 1 64 64 MET CE C 13 16.703 0.004 . 1 . . . . 41 M CE . 16262 1 456 . 1 1 64 64 MET CG C 13 31.599 0.083 . 1 . . . . 41 M CG . 16262 1 457 . 1 1 64 64 MET N N 15 121.880 0.016 . 1 . . . . 41 M N . 16262 1 458 . 1 1 65 65 VAL H H 1 8.197 0.020 . 1 . . . . 42 V H . 16262 1 459 . 1 1 65 65 VAL HA H 1 3.378 0.001 . 1 . . . . 42 V HA . 16262 1 460 . 1 1 65 65 VAL HB H 1 2.108 0.020 . 1 . . . . 42 V HB . 16262 1 461 . 1 1 65 65 VAL HG11 H 1 0.813 0.020 . 2 . . . . 42 V HG1 . 16262 1 462 . 1 1 65 65 VAL HG12 H 1 0.813 0.020 . 2 . . . . 42 V HG1 . 16262 1 463 . 1 1 65 65 VAL HG13 H 1 0.813 0.020 . 2 . . . . 42 V HG1 . 16262 1 464 . 1 1 65 65 VAL HG21 H 1 1.001 0.003 . 2 . . . . 42 V HG2 . 16262 1 465 . 1 1 65 65 VAL HG22 H 1 1.001 0.003 . 2 . . . . 42 V HG2 . 16262 1 466 . 1 1 65 65 VAL HG23 H 1 1.001 0.003 . 2 . . . . 42 V HG2 . 16262 1 467 . 1 1 65 65 VAL CA C 13 67.497 0.010 . 1 . . . . 42 V CA . 16262 1 468 . 1 1 65 65 VAL CB C 13 30.748 0.400 . 1 . . . . 42 V CB . 16262 1 469 . 1 1 65 65 VAL CG1 C 13 21.903 0.026 . 2 . . . . 42 V CG1 . 16262 1 470 . 1 1 65 65 VAL CG2 C 13 24.254 0.251 . 2 . . . . 42 V CG2 . 16262 1 471 . 1 1 65 65 VAL N N 15 118.272 0.023 . 1 . . . . 42 V N . 16262 1 472 . 1 1 66 66 GLY H H 1 8.035 0.020 . 1 . . . . 43 G H . 16262 1 473 . 1 1 66 66 GLY HA2 H 1 3.584 0.020 . 2 . . . . 43 G HA2 . 16262 1 474 . 1 1 66 66 GLY HA3 H 1 3.941 0.020 . 2 . . . . 43 G HA3 . 16262 1 475 . 1 1 66 66 GLY CA C 13 47.452 0.053 . 1 . . . . 43 G CA . 16262 1 476 . 1 1 66 66 GLY N N 15 106.607 0.013 . 1 . . . . 43 G N . 16262 1 477 . 1 1 67 67 GLU H H 1 8.001 0.001 . 1 . . . . 44 E H . 16262 1 478 . 1 1 67 67 GLU HA H 1 4.291 0.004 . 1 . . . . 44 E HA . 16262 1 479 . 1 1 67 67 GLU HB2 H 1 2.441 0.020 . 2 . . . . 44 E HB2 . 16262 1 480 . 1 1 67 67 GLU HB3 H 1 2.196 0.020 . 2 . . . . 44 E HB3 . 16262 1 481 . 1 1 67 67 GLU HG2 H 1 2.454 0.020 . 2 . . . . 44 E HG . 16262 1 482 . 1 1 67 67 GLU HG3 H 1 2.454 0.020 . 2 . . . . 44 E HG . 16262 1 483 . 1 1 67 67 GLU CA C 13 58.791 0.026 . 1 . . . . 44 E CA . 16262 1 484 . 1 1 67 67 GLU CB C 13 28.881 0.138 . 1 . . . . 44 E CB . 16262 1 485 . 1 1 67 67 GLU CG C 13 35.902 0.400 . 1 . . . . 44 E CG . 16262 1 486 . 1 1 67 67 GLU N N 15 121.965 0.031 . 1 . . . . 44 E N . 16262 1 487 . 1 1 68 68 LEU H H 1 8.319 0.001 . 1 . . . . 45 L H . 16262 1 488 . 1 1 68 68 LEU HA H 1 3.240 0.001 . 1 . . . . 45 L HA . 16262 1 489 . 1 1 68 68 LEU HB2 H 1 0.818 0.020 . 2 . . . . 45 L HB2 . 16262 1 490 . 1 1 68 68 LEU HB3 H 1 1.728 0.020 . 2 . . . . 45 L HB3 . 16262 1 491 . 1 1 68 68 LEU HD11 H 1 0.038 0.020 . 2 . . . . 45 L HD1 . 16262 1 492 . 1 1 68 68 LEU HD12 H 1 0.038 0.020 . 2 . . . . 45 L HD1 . 16262 1 493 . 1 1 68 68 LEU HD13 H 1 0.038 0.020 . 2 . . . . 45 L HD1 . 16262 1 494 . 1 1 68 68 LEU HD21 H 1 0.495 0.020 . 2 . . . . 45 L HD2 . 16262 1 495 . 1 1 68 68 LEU HD22 H 1 0.495 0.020 . 2 . . . . 45 L HD2 . 16262 1 496 . 1 1 68 68 LEU HD23 H 1 0.495 0.020 . 2 . . . . 45 L HD2 . 16262 1 497 . 1 1 68 68 LEU HG H 1 1.101 0.002 . 1 . . . . 45 L HG . 16262 1 498 . 1 1 68 68 LEU CA C 13 57.739 0.400 . 1 . . . . 45 L CA . 16262 1 499 . 1 1 68 68 LEU CB C 13 41.555 0.017 . 1 . . . . 45 L CB . 16262 1 500 . 1 1 68 68 LEU CD1 C 13 22.046 0.009 . 2 . . . . 45 L CD1 . 16262 1 501 . 1 1 68 68 LEU CD2 C 13 26.061 0.024 . 2 . . . . 45 L CD2 . 16262 1 502 . 1 1 68 68 LEU CG C 13 26.359 0.107 . 1 . . . . 45 L CG . 16262 1 503 . 1 1 68 68 LEU N N 15 123.295 0.030 . 1 . . . . 45 L N . 16262 1 504 . 1 1 69 69 ILE H H 1 8.659 0.001 . 1 . . . . 46 I H . 16262 1 505 . 1 1 69 69 ILE HA H 1 3.496 0.020 . 1 . . . . 46 I HA . 16262 1 506 . 1 1 69 69 ILE HB H 1 1.663 0.001 . 1 . . . . 46 I HB . 16262 1 507 . 1 1 69 69 ILE HD11 H 1 0.363 0.020 . 1 . . . . 46 I HD1 . 16262 1 508 . 1 1 69 69 ILE HD12 H 1 0.363 0.020 . 1 . . . . 46 I HD1 . 16262 1 509 . 1 1 69 69 ILE HD13 H 1 0.363 0.020 . 1 . . . . 46 I HD1 . 16262 1 510 . 1 1 69 69 ILE HG12 H 1 1.047 0.004 . 2 . . . . 46 I HG12 . 16262 1 511 . 1 1 69 69 ILE HG13 H 1 0.734 0.002 . 2 . . . . 46 I HG13 . 16262 1 512 . 1 1 69 69 ILE HG21 H 1 0.626 0.020 . 1 . . . . 46 I HG2 . 16262 1 513 . 1 1 69 69 ILE HG22 H 1 0.626 0.020 . 1 . . . . 46 I HG2 . 16262 1 514 . 1 1 69 69 ILE HG23 H 1 0.626 0.020 . 1 . . . . 46 I HG2 . 16262 1 515 . 1 1 69 69 ILE CA C 13 63.685 0.027 . 1 . . . . 46 I CA . 16262 1 516 . 1 1 69 69 ILE CB C 13 36.222 0.027 . 1 . . . . 46 I CB . 16262 1 517 . 1 1 69 69 ILE CD1 C 13 11.272 0.002 . 1 . . . . 46 I CD1 . 16262 1 518 . 1 1 69 69 ILE CG1 C 13 27.777 0.234 . 1 . . . . 46 I CG1 . 16262 1 519 . 1 1 69 69 ILE CG2 C 13 16.921 0.003 . 1 . . . . 46 I CG2 . 16262 1 520 . 1 1 69 69 ILE N N 15 120.549 0.013 . 1 . . . . 46 I N . 16262 1 521 . 1 1 70 70 ALA H H 1 7.801 0.020 . 1 . . . . 47 A H . 16262 1 522 . 1 1 70 70 ALA HA H 1 4.077 0.001 . 1 . . . . 47 A HA . 16262 1 523 . 1 1 70 70 ALA HB1 H 1 1.562 0.020 . 1 . . . . 47 A HB . 16262 1 524 . 1 1 70 70 ALA HB2 H 1 1.562 0.020 . 1 . . . . 47 A HB . 16262 1 525 . 1 1 70 70 ALA HB3 H 1 1.562 0.020 . 1 . . . . 47 A HB . 16262 1 526 . 1 1 70 70 ALA CA C 13 55.670 0.001 . 1 . . . . 47 A CA . 16262 1 527 . 1 1 70 70 ALA CB C 13 17.640 0.400 . 1 . . . . 47 A CB . 16262 1 528 . 1 1 70 70 ALA N N 15 125.064 0.038 . 1 . . . . 47 A N . 16262 1 529 . 1 1 71 71 PHE H H 1 8.319 0.002 . 1 . . . . 48 F H . 16262 1 530 . 1 1 71 71 PHE HA H 1 3.959 0.001 . 1 . . . . 48 F HA . 16262 1 531 . 1 1 71 71 PHE HB2 H 1 2.675 0.020 . 2 . . . . 48 F HB2 . 16262 1 532 . 1 1 71 71 PHE HB3 H 1 3.029 0.003 . 2 . . . . 48 F HB3 . 16262 1 533 . 1 1 71 71 PHE HD1 H 1 7.094 0.020 . 3 . . . . 48 F HD . 16262 1 534 . 1 1 71 71 PHE HD2 H 1 7.094 0.020 . 3 . . . . 48 F HD . 16262 1 535 . 1 1 71 71 PHE HE1 H 1 7.332 0.020 . 3 . . . . 48 F HE . 16262 1 536 . 1 1 71 71 PHE HE2 H 1 7.332 0.020 . 3 . . . . 48 F HE . 16262 1 537 . 1 1 71 71 PHE HZ H 1 7.276 0.020 . 1 . . . . 48 F HZ . 16262 1 538 . 1 1 71 71 PHE CA C 13 61.086 0.111 . 1 . . . . 48 F CA . 16262 1 539 . 1 1 71 71 PHE CB C 13 39.230 0.011 . 1 . . . . 48 F CB . 16262 1 540 . 1 1 71 71 PHE N N 15 121.048 0.033 . 1 . . . . 48 F N . 16262 1 541 . 1 1 72 72 CYS H H 1 8.897 0.001 . 1 . . . . 49 C H . 16262 1 542 . 1 1 72 72 CYS HA H 1 3.596 0.001 . 1 . . . . 49 C HA . 16262 1 543 . 1 1 72 72 CYS HB2 H 1 3.011 0.001 . 2 . . . . 49 C HB2 . 16262 1 544 . 1 1 72 72 CYS HB3 H 1 2.927 0.020 . 2 . . . . 49 C HB3 . 16262 1 545 . 1 1 72 72 CYS CA C 13 64.563 0.013 . 1 . . . . 49 C CA . 16262 1 546 . 1 1 72 72 CYS CB C 13 26.565 0.028 . 1 . . . . 49 C CB . 16262 1 547 . 1 1 72 72 CYS N N 15 120.457 0.056 . 1 . . . . 49 C N . 16262 1 548 . 1 1 73 73 THR H H 1 8.476 0.020 . 1 . . . . 50 T H . 16262 1 549 . 1 1 73 73 THR HA H 1 4.015 0.020 . 1 . . . . 50 T HA . 16262 1 550 . 1 1 73 73 THR HB H 1 4.226 0.001 . 1 . . . . 50 T HB . 16262 1 551 . 1 1 73 73 THR HG21 H 1 1.239 0.020 . 1 . . . . 50 T HG2 . 16262 1 552 . 1 1 73 73 THR HG22 H 1 1.239 0.020 . 1 . . . . 50 T HG2 . 16262 1 553 . 1 1 73 73 THR HG23 H 1 1.239 0.020 . 1 . . . . 50 T HG2 . 16262 1 554 . 1 1 73 73 THR CA C 13 65.811 0.042 . 1 . . . . 50 T CA . 16262 1 555 . 1 1 73 73 THR CB C 13 69.020 0.032 . 1 . . . . 50 T CB . 16262 1 556 . 1 1 73 73 THR CG2 C 13 21.326 0.002 . 1 . . . . 50 T CG2 . 16262 1 557 . 1 1 73 73 THR N N 15 114.322 0.010 . 1 . . . . 50 T N . 16262 1 558 . 1 1 74 74 SER H H 1 7.969 0.001 . 1 . . . . 51 S H . 16262 1 559 . 1 1 74 74 SER HA H 1 4.150 0.020 . 1 . . . . 51 S HA . 16262 1 560 . 1 1 74 74 SER HB2 H 1 3.963 0.009 . 2 . . . . 51 S HB . 16262 1 561 . 1 1 74 74 SER HB3 H 1 3.963 0.009 . 2 . . . . 51 S HB . 16262 1 562 . 1 1 74 74 SER CA C 13 60.961 0.400 . 1 . . . . 51 S CA . 16262 1 563 . 1 1 74 74 SER CB C 13 63.184 0.400 . 1 . . . . 51 S CB . 16262 1 564 . 1 1 74 74 SER N N 15 116.905 0.022 . 1 . . . . 51 S N . 16262 1 565 . 1 1 75 75 THR H H 1 7.280 0.001 . 1 . . . . 52 T H . 16262 1 566 . 1 1 75 75 THR HA H 1 4.280 0.001 . 1 . . . . 52 T HA . 16262 1 567 . 1 1 75 75 THR HB H 1 4.118 0.001 . 1 . . . . 52 T HB . 16262 1 568 . 1 1 75 75 THR HG21 H 1 0.864 0.020 . 1 . . . . 52 T HG2 . 16262 1 569 . 1 1 75 75 THR HG22 H 1 0.864 0.020 . 1 . . . . 52 T HG2 . 16262 1 570 . 1 1 75 75 THR HG23 H 1 0.864 0.020 . 1 . . . . 52 T HG2 . 16262 1 571 . 1 1 75 75 THR CA C 13 61.370 0.038 . 1 . . . . 52 T CA . 16262 1 572 . 1 1 75 75 THR CB C 13 69.030 0.009 . 1 . . . . 52 T CB . 16262 1 573 . 1 1 75 75 THR CG2 C 13 21.070 0.400 . 1 . . . . 52 T CG2 . 16262 1 574 . 1 1 75 75 THR N N 15 108.490 0.018 . 1 . . . . 52 T N . 16262 1 575 . 1 1 76 76 HIS H H 1 7.327 0.001 . 1 . . . . 53 H H . 16262 1 576 . 1 1 76 76 HIS HA H 1 4.243 0.001 . 1 . . . . 53 H HA . 16262 1 577 . 1 1 76 76 HIS HB2 H 1 3.284 0.020 . 2 . . . . 53 H HB2 . 16262 1 578 . 1 1 76 76 HIS HB3 H 1 3.408 0.020 . 2 . . . . 53 H HB3 . 16262 1 579 . 1 1 76 76 HIS HD2 H 1 7.139 0.020 . 1 . . . . 53 H HD2 . 16262 1 580 . 1 1 76 76 HIS CA C 13 56.430 0.020 . 1 . . . . 53 H CA . 16262 1 581 . 1 1 76 76 HIS CB C 13 26.207 0.047 . 1 . . . . 53 H CB . 16262 1 582 . 1 1 76 76 HIS N N 15 116.964 0.007 . 1 . . . . 53 H N . 16262 1 583 . 1 1 77 77 LYS H H 1 8.349 0.020 . 1 . . . . 54 K H . 16262 1 584 . 1 1 77 77 LYS HA H 1 4.543 0.020 . 1 . . . . 54 K HA . 16262 1 585 . 1 1 77 77 LYS HB2 H 1 1.711 0.020 . 2 . . . . 54 K HB2 . 16262 1 586 . 1 1 77 77 LYS HB3 H 1 1.570 0.001 . 2 . . . . 54 K HB3 . 16262 1 587 . 1 1 77 77 LYS HD2 H 1 1.655 0.020 . 2 . . . . 54 K HD . 16262 1 588 . 1 1 77 77 LYS HD3 H 1 1.655 0.020 . 2 . . . . 54 K HD . 16262 1 589 . 1 1 77 77 LYS HE2 H 1 2.921 0.003 . 2 . . . . 54 K HE . 16262 1 590 . 1 1 77 77 LYS HE3 H 1 2.921 0.003 . 2 . . . . 54 K HE . 16262 1 591 . 1 1 77 77 LYS HG2 H 1 1.258 0.020 . 2 . . . . 54 K HG2 . 16262 1 592 . 1 1 77 77 LYS HG3 H 1 1.468 0.004 . 2 . . . . 54 K HG3 . 16262 1 593 . 1 1 77 77 LYS CA C 13 54.954 0.400 . 1 . . . . 54 K CA . 16262 1 594 . 1 1 77 77 LYS CB C 13 33.604 0.094 . 1 . . . . 54 K CB . 16262 1 595 . 1 1 77 77 LYS CD C 13 28.570 0.400 . 1 . . . . 54 K CD . 16262 1 596 . 1 1 77 77 LYS CE C 13 41.929 0.169 . 1 . . . . 54 K CE . 16262 1 597 . 1 1 77 77 LYS CG C 13 24.209 0.152 . 1 . . . . 54 K CG . 16262 1 598 . 1 1 77 77 LYS N N 15 118.760 0.400 . 1 . . . . 54 K N . 16262 1 599 . 1 1 78 78 VAL H H 1 8.333 0.002 . 1 . . . . 55 V H . 16262 1 600 . 1 1 78 78 VAL HA H 1 4.200 0.001 . 1 . . . . 55 V HA . 16262 1 601 . 1 1 78 78 VAL HB H 1 2.046 0.003 . 1 . . . . 55 V HB . 16262 1 602 . 1 1 78 78 VAL HG11 H 1 0.878 0.002 . 1 . . . . 55 V HG . 16262 1 603 . 1 1 78 78 VAL HG12 H 1 0.878 0.002 . 1 . . . . 55 V HG . 16262 1 604 . 1 1 78 78 VAL HG13 H 1 0.878 0.002 . 1 . . . . 55 V HG . 16262 1 605 . 1 1 78 78 VAL HG21 H 1 0.878 0.002 . 1 . . . . 55 V HG . 16262 1 606 . 1 1 78 78 VAL HG22 H 1 0.878 0.002 . 1 . . . . 55 V HG . 16262 1 607 . 1 1 78 78 VAL HG23 H 1 0.878 0.002 . 1 . . . . 55 V HG . 16262 1 608 . 1 1 78 78 VAL CA C 13 61.776 0.027 . 1 . . . . 55 V CA . 16262 1 609 . 1 1 78 78 VAL CB C 13 32.879 0.058 . 1 . . . . 55 V CB . 16262 1 610 . 1 1 78 78 VAL CG1 C 13 20.546 0.121 . 2 . . . . 55 V CG1 . 16262 1 611 . 1 1 78 78 VAL N N 15 120.818 0.047 . 1 . . . . 55 V N . 16262 1 612 . 1 1 79 79 GLY H H 1 8.059 0.001 . 1 . . . . 56 G H . 16262 1 613 . 1 1 79 79 GLY HA2 H 1 3.779 0.001 . 2 . . . . 56 G HA2 . 16262 1 614 . 1 1 79 79 GLY HA3 H 1 4.008 0.020 . 2 . . . . 56 G HA3 . 16262 1 615 . 1 1 79 79 GLY CA C 13 44.517 0.077 . 1 . . . . 56 G CA . 16262 1 616 . 1 1 79 79 GLY N N 15 112.180 0.008 . 1 . . . . 56 G N . 16262 1 617 . 1 1 80 80 LEU H H 1 8.305 0.001 . 1 . . . . 57 L H . 16262 1 618 . 1 1 80 80 LEU HA H 1 4.417 0.001 . 1 . . . . 57 L HA . 16262 1 619 . 1 1 80 80 LEU HB2 H 1 1.527 0.002 . 2 . . . . 57 L HB2 . 16262 1 620 . 1 1 80 80 LEU HB3 H 1 1.490 0.001 . 2 . . . . 57 L HB3 . 16262 1 621 . 1 1 80 80 LEU HD11 H 1 0.802 0.020 . 1 . . . . 57 L HD . 16262 1 622 . 1 1 80 80 LEU HD12 H 1 0.802 0.020 . 1 . . . . 57 L HD . 16262 1 623 . 1 1 80 80 LEU HD13 H 1 0.802 0.020 . 1 . . . . 57 L HD . 16262 1 624 . 1 1 80 80 LEU HD21 H 1 0.802 0.020 . 1 . . . . 57 L HD . 16262 1 625 . 1 1 80 80 LEU HD22 H 1 0.802 0.020 . 1 . . . . 57 L HD . 16262 1 626 . 1 1 80 80 LEU HD23 H 1 0.802 0.020 . 1 . . . . 57 L HD . 16262 1 627 . 1 1 80 80 LEU HG H 1 1.527 0.020 . 1 . . . . 57 L HG . 16262 1 628 . 1 1 80 80 LEU CA C 13 55.482 0.003 . 1 . . . . 57 L CA . 16262 1 629 . 1 1 80 80 LEU CB C 13 43.797 0.121 . 1 . . . . 57 L CB . 16262 1 630 . 1 1 80 80 LEU CD1 C 13 24.914 0.400 . 2 . . . . 57 L CD1 . 16262 1 631 . 1 1 80 80 LEU CG C 13 27.374 0.400 . 1 . . . . 57 L CG . 16262 1 632 . 1 1 80 80 LEU N N 15 118.552 0.057 . 1 . . . . 57 L N . 16262 1 633 . 1 1 81 81 THR H H 1 6.607 0.020 . 1 . . . . 58 T H . 16262 1 634 . 1 1 81 81 THR HA H 1 4.769 0.020 . 1 . . . . 58 T HA . 16262 1 635 . 1 1 81 81 THR HB H 1 4.756 0.007 . 1 . . . . 58 T HB . 16262 1 636 . 1 1 81 81 THR HG21 H 1 1.276 0.001 . 1 . . . . 58 T HG2 . 16262 1 637 . 1 1 81 81 THR HG22 H 1 1.276 0.001 . 1 . . . . 58 T HG2 . 16262 1 638 . 1 1 81 81 THR HG23 H 1 1.276 0.001 . 1 . . . . 58 T HG2 . 16262 1 639 . 1 1 81 81 THR CA C 13 58.763 0.400 . 1 . . . . 58 T CA . 16262 1 640 . 1 1 81 81 THR CB C 13 73.348 0.400 . 1 . . . . 58 T CB . 16262 1 641 . 1 1 81 81 THR CG2 C 13 21.712 0.005 . 1 . . . . 58 T CG2 . 16262 1 642 . 1 1 81 81 THR N N 15 112.208 0.011 . 1 . . . . 58 T N . 16262 1 643 . 1 1 82 82 SER H H 1 9.534 0.001 . 1 . . . . 59 S H . 16262 1 644 . 1 1 82 82 SER HA H 1 4.022 0.020 . 1 . . . . 59 S HA . 16262 1 645 . 1 1 82 82 SER HB2 H 1 3.952 0.004 . 2 . . . . 59 S HB . 16262 1 646 . 1 1 82 82 SER HB3 H 1 3.952 0.004 . 2 . . . . 59 S HB . 16262 1 647 . 1 1 82 82 SER CA C 13 62.405 0.400 . 1 . . . . 59 S CA . 16262 1 648 . 1 1 82 82 SER CB C 13 62.405 0.400 . 1 . . . . 59 S CB . 16262 1 649 . 1 1 82 82 SER N N 15 117.828 0.400 . 1 . . . . 59 S N . 16262 1 650 . 1 1 83 83 GLU H H 1 8.529 0.001 . 1 . . . . 60 E H . 16262 1 651 . 1 1 83 83 GLU HA H 1 4.181 0.001 . 1 . . . . 60 E HA . 16262 1 652 . 1 1 83 83 GLU HB2 H 1 2.024 0.020 . 2 . . . . 60 E HB2 . 16262 1 653 . 1 1 83 83 GLU HB3 H 1 2.128 0.020 . 2 . . . . 60 E HB3 . 16262 1 654 . 1 1 83 83 GLU HG2 H 1 2.379 0.020 . 2 . . . . 60 E HG . 16262 1 655 . 1 1 83 83 GLU HG3 H 1 2.379 0.020 . 2 . . . . 60 E HG . 16262 1 656 . 1 1 83 83 GLU CA C 13 60.079 0.049 . 1 . . . . 60 E CA . 16262 1 657 . 1 1 83 83 GLU CB C 13 29.290 0.132 . 1 . . . . 60 E CB . 16262 1 658 . 1 1 83 83 GLU CG C 13 36.602 0.400 . 1 . . . . 60 E CG . 16262 1 659 . 1 1 83 83 GLU N N 15 121.871 0.042 . 1 . . . . 60 E N . 16262 1 660 . 1 1 84 84 ILE H H 1 7.811 0.001 . 1 . . . . 61 I H . 16262 1 661 . 1 1 84 84 ILE HA H 1 3.947 0.002 . 1 . . . . 61 I HA . 16262 1 662 . 1 1 84 84 ILE HB H 1 1.821 0.020 . 1 . . . . 61 I HB . 16262 1 663 . 1 1 84 84 ILE HD11 H 1 0.967 0.020 . 1 . . . . 61 I HD1 . 16262 1 664 . 1 1 84 84 ILE HD12 H 1 0.967 0.020 . 1 . . . . 61 I HD1 . 16262 1 665 . 1 1 84 84 ILE HD13 H 1 0.967 0.020 . 1 . . . . 61 I HD1 . 16262 1 666 . 1 1 84 84 ILE HG12 H 1 1.130 0.002 . 2 . . . . 61 I HG1 . 16262 1 667 . 1 1 84 84 ILE HG13 H 1 1.130 0.002 . 2 . . . . 61 I HG1 . 16262 1 668 . 1 1 84 84 ILE HG21 H 1 1.022 0.020 . 1 . . . . 61 I HG2 . 16262 1 669 . 1 1 84 84 ILE HG22 H 1 1.022 0.020 . 1 . . . . 61 I HG2 . 16262 1 670 . 1 1 84 84 ILE HG23 H 1 1.022 0.020 . 1 . . . . 61 I HG2 . 16262 1 671 . 1 1 84 84 ILE CA C 13 65.191 0.004 . 1 . . . . 61 I CA . 16262 1 672 . 1 1 84 84 ILE CB C 13 38.752 0.016 . 1 . . . . 61 I CB . 16262 1 673 . 1 1 84 84 ILE CD1 C 13 13.758 0.400 . 1 . . . . 61 I CD1 . 16262 1 674 . 1 1 84 84 ILE CG1 C 13 30.246 0.024 . 1 . . . . 61 I CG1 . 16262 1 675 . 1 1 84 84 ILE CG2 C 13 17.731 0.025 . 1 . . . . 61 I CG2 . 16262 1 676 . 1 1 84 84 ILE N N 15 121.646 0.033 . 1 . . . . 61 I N . 16262 1 677 . 1 1 85 85 LEU H H 1 8.136 0.001 . 1 . . . . 62 L H . 16262 1 678 . 1 1 85 85 LEU HA H 1 4.109 0.002 . 1 . . . . 62 L HA . 16262 1 679 . 1 1 85 85 LEU HB2 H 1 1.595 0.003 . 2 . . . . 62 L HB2 . 16262 1 680 . 1 1 85 85 LEU HB3 H 1 1.933 0.020 . 2 . . . . 62 L HB3 . 16262 1 681 . 1 1 85 85 LEU HD11 H 1 0.855 0.020 . 1 . . . . 62 L HD . 16262 1 682 . 1 1 85 85 LEU HD12 H 1 0.855 0.020 . 1 . . . . 62 L HD . 16262 1 683 . 1 1 85 85 LEU HD13 H 1 0.855 0.020 . 1 . . . . 62 L HD . 16262 1 684 . 1 1 85 85 LEU HD21 H 1 0.855 0.020 . 1 . . . . 62 L HD . 16262 1 685 . 1 1 85 85 LEU HD22 H 1 0.855 0.020 . 1 . . . . 62 L HD . 16262 1 686 . 1 1 85 85 LEU HD23 H 1 0.855 0.020 . 1 . . . . 62 L HD . 16262 1 687 . 1 1 85 85 LEU HG H 1 0.925 0.003 . 1 . . . . 62 L HG . 16262 1 688 . 1 1 85 85 LEU CA C 13 58.236 0.100 . 1 . . . . 62 L CA . 16262 1 689 . 1 1 85 85 LEU CB C 13 41.438 0.302 . 1 . . . . 62 L CB . 16262 1 690 . 1 1 85 85 LEU CD1 C 13 24.819 0.400 . 2 . . . . 62 L CD1 . 16262 1 691 . 1 1 85 85 LEU CG C 13 26.365 0.133 . 1 . . . . 62 L CG . 16262 1 692 . 1 1 85 85 LEU N N 15 119.672 0.027 . 1 . . . . 62 L N . 16262 1 693 . 1 1 86 86 ASN H H 1 8.353 0.020 . 1 . . . . 63 N H . 16262 1 694 . 1 1 86 86 ASN HA H 1 4.651 0.003 . 1 . . . . 63 N HA . 16262 1 695 . 1 1 86 86 ASN HB2 H 1 2.986 0.020 . 2 . . . . 63 N HB . 16262 1 696 . 1 1 86 86 ASN HB3 H 1 2.986 0.020 . 2 . . . . 63 N HB . 16262 1 697 . 1 1 86 86 ASN HD22 H 1 7.788 0.020 . 2 . . . . 63 N HD22 . 16262 1 698 . 1 1 86 86 ASN CA C 13 56.716 0.039 . 1 . . . . 63 N CA . 16262 1 699 . 1 1 86 86 ASN CB C 13 38.524 0.400 . 1 . . . . 63 N CB . 16262 1 700 . 1 1 86 86 ASN N N 15 119.487 0.400 . 1 . . . . 63 N N . 16262 1 701 . 1 1 86 86 ASN ND2 N 15 112.980 0.400 . 1 . . . . 63 N ND2 . 16262 1 702 . 1 1 87 87 SER H H 1 8.239 0.001 . 1 . . . . 64 S H . 16262 1 703 . 1 1 87 87 SER HA H 1 4.230 0.020 . 1 . . . . 64 S HA . 16262 1 704 . 1 1 87 87 SER HB2 H 1 4.234 0.020 . 2 . . . . 64 S HB . 16262 1 705 . 1 1 87 87 SER HB3 H 1 4.234 0.020 . 2 . . . . 64 S HB . 16262 1 706 . 1 1 87 87 SER CA C 13 62.985 0.400 . 1 . . . . 64 S CA . 16262 1 707 . 1 1 87 87 SER N N 15 117.428 0.014 . 1 . . . . 64 S N . 16262 1 708 . 1 1 88 88 PHE H H 1 8.747 0.020 . 1 . . . . 65 F H . 16262 1 709 . 1 1 88 88 PHE HA H 1 3.032 0.020 . 1 . . . . 65 F HA . 16262 1 710 . 1 1 88 88 PHE HB2 H 1 2.720 0.001 . 2 . . . . 65 F HB2 . 16262 1 711 . 1 1 88 88 PHE HB3 H 1 3.040 0.004 . 2 . . . . 65 F HB3 . 16262 1 712 . 1 1 88 88 PHE HD1 H 1 6.544 0.020 . 3 . . . . 65 F HD . 16262 1 713 . 1 1 88 88 PHE HD2 H 1 6.544 0.020 . 3 . . . . 65 F HD . 16262 1 714 . 1 1 88 88 PHE HE1 H 1 7.033 0.020 . 3 . . . . 65 F HE . 16262 1 715 . 1 1 88 88 PHE HE2 H 1 7.033 0.020 . 3 . . . . 65 F HE . 16262 1 716 . 1 1 88 88 PHE HZ H 1 7.228 0.020 . 1 . . . . 65 F HZ . 16262 1 717 . 1 1 88 88 PHE CA C 13 59.136 0.010 . 1 . . . . 65 F CA . 16262 1 718 . 1 1 88 88 PHE CB C 13 39.015 0.069 . 1 . . . . 65 F CB . 16262 1 719 . 1 1 88 88 PHE N N 15 122.867 0.026 . 1 . . . . 65 F N . 16262 1 720 . 1 1 89 89 GLU H H 1 8.272 0.001 . 1 . . . . 66 E H . 16262 1 721 . 1 1 89 89 GLU HA H 1 3.366 0.020 . 1 . . . . 66 E HA . 16262 1 722 . 1 1 89 89 GLU HB2 H 1 1.840 0.020 . 2 . . . . 66 E HB2 . 16262 1 723 . 1 1 89 89 GLU HB3 H 1 2.072 0.006 . 2 . . . . 66 E HB3 . 16262 1 724 . 1 1 89 89 GLU HG2 H 1 1.828 0.020 . 2 . . . . 66 E HG2 . 16262 1 725 . 1 1 89 89 GLU HG3 H 1 2.036 0.020 . 2 . . . . 66 E HG3 . 16262 1 726 . 1 1 89 89 GLU CA C 13 59.656 0.005 . 1 . . . . 66 E CA . 16262 1 727 . 1 1 89 89 GLU CB C 13 29.026 0.068 . 1 . . . . 66 E CB . 16262 1 728 . 1 1 89 89 GLU CG C 13 34.727 0.291 . 1 . . . . 66 E CG . 16262 1 729 . 1 1 89 89 GLU N N 15 119.931 0.020 . 1 . . . . 66 E N . 16262 1 730 . 1 1 90 90 HIS H H 1 8.133 0.001 . 1 . . . . 67 H H . 16262 1 731 . 1 1 90 90 HIS HA H 1 4.307 0.020 . 1 . . . . 67 H HA . 16262 1 732 . 1 1 90 90 HIS HB2 H 1 3.247 0.001 . 2 . . . . 67 H HB . 16262 1 733 . 1 1 90 90 HIS HB3 H 1 3.247 0.001 . 2 . . . . 67 H HB . 16262 1 734 . 1 1 90 90 HIS HD2 H 1 7.263 0.020 . 1 . . . . 67 H HD2 . 16262 1 735 . 1 1 90 90 HIS CA C 13 59.447 0.400 . 1 . . . . 67 H CA . 16262 1 736 . 1 1 90 90 HIS CB C 13 30.034 0.005 . 1 . . . . 67 H CB . 16262 1 737 . 1 1 90 90 HIS N N 15 115.334 0.032 . 1 . . . . 67 H N . 16262 1 738 . 1 1 91 91 GLU H H 1 9.040 0.002 . 1 . . . . 68 E H . 16262 1 739 . 1 1 91 91 GLU HA H 1 4.343 0.020 . 1 . . . . 68 E HA . 16262 1 740 . 1 1 91 91 GLU HB2 H 1 2.169 0.020 . 2 . . . . 68 E HB2 . 16262 1 741 . 1 1 91 91 GLU HB3 H 1 2.227 0.020 . 2 . . . . 68 E HB3 . 16262 1 742 . 1 1 91 91 GLU HG2 H 1 2.493 0.002 . 2 . . . . 68 E HG . 16262 1 743 . 1 1 91 91 GLU HG3 H 1 2.493 0.002 . 2 . . . . 68 E HG . 16262 1 744 . 1 1 91 91 GLU CA C 13 56.847 0.400 . 1 . . . . 68 E CA . 16262 1 745 . 1 1 91 91 GLU CB C 13 30.369 0.400 . 1 . . . . 68 E CB . 16262 1 746 . 1 1 91 91 GLU CG C 13 36.484 0.059 . 1 . . . . 68 E CG . 16262 1 747 . 1 1 91 91 GLU N N 15 115.236 0.021 . 1 . . . . 68 E N . 16262 1 748 . 1 1 92 92 PHE H H 1 7.334 0.001 . 1 . . . . 69 F H . 16262 1 749 . 1 1 92 92 PHE HA H 1 4.582 0.002 . 1 . . . . 69 F HA . 16262 1 750 . 1 1 92 92 PHE HB2 H 1 2.656 0.020 . 2 . . . . 69 F HB2 . 16262 1 751 . 1 1 92 92 PHE HB3 H 1 2.914 0.020 . 2 . . . . 69 F HB3 . 16262 1 752 . 1 1 92 92 PHE HD1 H 1 7.017 0.020 . 3 . . . . 69 F HD . 16262 1 753 . 1 1 92 92 PHE HD2 H 1 7.017 0.020 . 3 . . . . 69 F HD . 16262 1 754 . 1 1 92 92 PHE HE1 H 1 7.419 0.001 . 3 . . . . 69 F HE . 16262 1 755 . 1 1 92 92 PHE HE2 H 1 7.419 0.001 . 3 . . . . 69 F HE . 16262 1 756 . 1 1 92 92 PHE HZ H 1 7.300 0.020 . 1 . . . . 69 F HZ . 16262 1 757 . 1 1 92 92 PHE CA C 13 60.127 0.054 . 1 . . . . 69 F CA . 16262 1 758 . 1 1 92 92 PHE CB C 13 41.625 0.037 . 1 . . . . 69 F CB . 16262 1 759 . 1 1 92 92 PHE N N 15 118.008 0.032 . 1 . . . . 69 F N . 16262 1 760 . 1 1 93 93 LEU H H 1 7.995 0.001 . 1 . . . . 70 L H . 16262 1 761 . 1 1 93 93 LEU HA H 1 3.375 0.004 . 1 . . . . 70 L HA . 16262 1 762 . 1 1 93 93 LEU HB2 H 1 0.352 0.003 . 2 . . . . 70 L HB2 . 16262 1 763 . 1 1 93 93 LEU HB3 H 1 1.073 0.001 . 2 . . . . 70 L HB3 . 16262 1 764 . 1 1 93 93 LEU HD11 H 1 0.371 0.020 . 1 . . . . 70 L HD . 16262 1 765 . 1 1 93 93 LEU HD12 H 1 0.371 0.020 . 1 . . . . 70 L HD . 16262 1 766 . 1 1 93 93 LEU HD13 H 1 0.371 0.020 . 1 . . . . 70 L HD . 16262 1 767 . 1 1 93 93 LEU HD21 H 1 0.371 0.020 . 1 . . . . 70 L HD . 16262 1 768 . 1 1 93 93 LEU HD22 H 1 0.371 0.020 . 1 . . . . 70 L HD . 16262 1 769 . 1 1 93 93 LEU HD23 H 1 0.371 0.020 . 1 . . . . 70 L HD . 16262 1 770 . 1 1 93 93 LEU HG H 1 0.329 0.020 . 1 . . . . 70 L HG . 16262 1 771 . 1 1 93 93 LEU CA C 13 58.892 0.380 . 1 . . . . 70 L CA . 16262 1 772 . 1 1 93 93 LEU CB C 13 40.399 0.012 . 1 . . . . 70 L CB . 16262 1 773 . 1 1 93 93 LEU CD1 C 13 22.873 0.400 . 2 . . . . 70 L CD1 . 16262 1 774 . 1 1 93 93 LEU CG C 13 25.825 0.061 . 1 . . . . 70 L CG . 16262 1 775 . 1 1 93 93 LEU N N 15 120.407 0.022 . 1 . . . . 70 L N . 16262 1 776 . 1 1 94 94 SER H H 1 7.933 0.020 . 1 . . . . 71 S H . 16262 1 777 . 1 1 94 94 SER HA H 1 4.178 0.020 . 1 . . . . 71 S HA . 16262 1 778 . 1 1 94 94 SER HB2 H 1 3.937 0.020 . 2 . . . . 71 S HB . 16262 1 779 . 1 1 94 94 SER HB3 H 1 3.937 0.020 . 2 . . . . 71 S HB . 16262 1 780 . 1 1 94 94 SER CA C 13 60.592 0.400 . 1 . . . . 71 S CA . 16262 1 781 . 1 1 94 94 SER CB C 13 63.205 0.400 . 1 . . . . 71 S CB . 16262 1 782 . 1 1 94 94 SER N N 15 109.907 0.017 . 1 . . . . 71 S N . 16262 1 783 . 1 1 95 95 LYS H H 1 6.748 0.020 . 1 . . . . 72 K H . 16262 1 784 . 1 1 95 95 LYS HA H 1 4.228 0.002 . 1 . . . . 72 K HA . 16262 1 785 . 1 1 95 95 LYS HB2 H 1 1.579 0.001 . 2 . . . . 72 K HB2 . 16262 1 786 . 1 1 95 95 LYS HB3 H 1 1.812 0.001 . 2 . . . . 72 K HB3 . 16262 1 787 . 1 1 95 95 LYS HD2 H 1 1.612 0.020 . 2 . . . . 72 K HD . 16262 1 788 . 1 1 95 95 LYS HD3 H 1 1.612 0.020 . 2 . . . . 72 K HD . 16262 1 789 . 1 1 95 95 LYS HE2 H 1 2.971 0.005 . 2 . . . . 72 K HE . 16262 1 790 . 1 1 95 95 LYS HE3 H 1 2.971 0.005 . 2 . . . . 72 K HE . 16262 1 791 . 1 1 95 95 LYS HG2 H 1 1.251 0.002 . 2 . . . . 72 K HG2 . 16262 1 792 . 1 1 95 95 LYS HG3 H 1 1.370 0.003 . 2 . . . . 72 K HG3 . 16262 1 793 . 1 1 95 95 LYS CA C 13 56.607 0.013 . 1 . . . . 72 K CA . 16262 1 794 . 1 1 95 95 LYS CB C 13 32.680 0.058 . 1 . . . . 72 K CB . 16262 1 795 . 1 1 95 95 LYS CD C 13 28.758 0.400 . 1 . . . . 72 K CD . 16262 1 796 . 1 1 95 95 LYS CE C 13 42.218 0.003 . 1 . . . . 72 K CE . 16262 1 797 . 1 1 95 95 LYS CG C 13 24.891 0.036 . 1 . . . . 72 K CG . 16262 1 798 . 1 1 95 95 LYS N N 15 118.651 0.026 . 1 . . . . 72 K N . 16262 1 799 . 1 1 96 96 ARG H H 1 7.449 0.001 . 1 . . . . 73 R H . 16262 1 800 . 1 1 96 96 ARG HA H 1 4.147 0.020 . 1 . . . . 73 R HA . 16262 1 801 . 1 1 96 96 ARG HB2 H 1 1.494 0.001 . 2 . . . . 73 R HB2 . 16262 1 802 . 1 1 96 96 ARG HB3 H 1 1.775 0.001 . 2 . . . . 73 R HB3 . 16262 1 803 . 1 1 96 96 ARG HD2 H 1 2.764 0.020 . 2 . . . . 73 R HD2 . 16262 1 804 . 1 1 96 96 ARG HD3 H 1 2.665 0.020 . 2 . . . . 73 R HD3 . 16262 1 805 . 1 1 96 96 ARG HG2 H 1 1.403 0.001 . 2 . . . . 73 R HG2 . 16262 1 806 . 1 1 96 96 ARG HG3 H 1 1.344 0.020 . 2 . . . . 73 R HG3 . 16262 1 807 . 1 1 96 96 ARG CA C 13 56.871 0.039 . 1 . . . . 73 R CA . 16262 1 808 . 1 1 96 96 ARG CB C 13 30.922 0.046 . 1 . . . . 73 R CB . 16262 1 809 . 1 1 96 96 ARG CD C 13 42.995 0.081 . 1 . . . . 73 R CD . 16262 1 810 . 1 1 96 96 ARG CG C 13 26.911 0.048 . 1 . . . . 73 R CG . 16262 1 811 . 1 1 96 96 ARG N N 15 118.316 0.012 . 1 . . . . 73 R N . 16262 1 812 . 1 1 97 97 LEU H H 1 7.819 0.001 . 1 . . . . 74 L H . 16262 1 813 . 1 1 97 97 LEU HA H 1 4.447 0.001 . 1 . . . . 74 L HA . 16262 1 814 . 1 1 97 97 LEU HB2 H 1 1.662 0.020 . 2 . . . . 74 L HB . 16262 1 815 . 1 1 97 97 LEU HB3 H 1 1.662 0.020 . 2 . . . . 74 L HB . 16262 1 816 . 1 1 97 97 LEU HD11 H 1 0.869 0.020 . 1 . . . . 74 L HD . 16262 1 817 . 1 1 97 97 LEU HD12 H 1 0.869 0.020 . 1 . . . . 74 L HD . 16262 1 818 . 1 1 97 97 LEU HD13 H 1 0.869 0.020 . 1 . . . . 74 L HD . 16262 1 819 . 1 1 97 97 LEU HD21 H 1 0.869 0.020 . 1 . . . . 74 L HD . 16262 1 820 . 1 1 97 97 LEU HD22 H 1 0.869 0.020 . 1 . . . . 74 L HD . 16262 1 821 . 1 1 97 97 LEU HD23 H 1 0.869 0.020 . 1 . . . . 74 L HD . 16262 1 822 . 1 1 97 97 LEU HG H 1 1.591 0.003 . 1 . . . . 74 L HG . 16262 1 823 . 1 1 97 97 LEU CA C 13 55.023 0.038 . 1 . . . . 74 L CA . 16262 1 824 . 1 1 97 97 LEU CB C 13 42.848 0.009 . 1 . . . . 74 L CB . 16262 1 825 . 1 1 97 97 LEU CD1 C 13 23.221 0.400 . 2 . . . . 74 L CD1 . 16262 1 826 . 1 1 97 97 LEU CD2 C 13 25.049 0.400 . 2 . . . . 74 L CD2 . 16262 1 827 . 1 1 97 97 LEU CG C 13 27.278 0.037 . 1 . . . . 74 L CG . 16262 1 828 . 1 1 97 97 LEU N N 15 120.164 0.035 . 1 . . . . 74 L N . 16262 1 829 . 1 1 98 98 SER H H 1 8.099 0.004 . 1 . . . . 75 S H . 16262 1 830 . 1 1 98 98 SER HA H 1 4.447 0.006 . 1 . . . . 75 S HA . 16262 1 831 . 1 1 98 98 SER HB2 H 1 3.865 0.005 . 2 . . . . 75 S HB . 16262 1 832 . 1 1 98 98 SER HB3 H 1 3.865 0.005 . 2 . . . . 75 S HB . 16262 1 833 . 1 1 98 98 SER CA C 13 58.660 0.400 . 1 . . . . 75 S CA . 16262 1 834 . 1 1 98 98 SER CB C 13 63.919 0.400 . 1 . . . . 75 S CB . 16262 1 835 . 1 1 98 98 SER N N 15 115.596 0.035 . 1 . . . . 75 S N . 16262 1 836 . 1 1 99 99 LYS H H 1 8.254 0.020 . 1 . . . . 76 K H . 16262 1 837 . 1 1 99 99 LYS HA H 1 4.241 0.020 . 1 . . . . 76 K HA . 16262 1 838 . 1 1 99 99 LYS HB2 H 1 1.810 0.020 . 2 . . . . 76 K HB . 16262 1 839 . 1 1 99 99 LYS HB3 H 1 1.810 0.020 . 2 . . . . 76 K HB . 16262 1 840 . 1 1 99 99 LYS HD2 H 1 1.686 0.020 . 2 . . . . 76 K HD . 16262 1 841 . 1 1 99 99 LYS HD3 H 1 1.686 0.020 . 2 . . . . 76 K HD . 16262 1 842 . 1 1 99 99 LYS HE2 H 1 2.965 0.020 . 2 . . . . 76 K HE . 16262 1 843 . 1 1 99 99 LYS HE3 H 1 2.965 0.020 . 2 . . . . 76 K HE . 16262 1 844 . 1 1 99 99 LYS HG2 H 1 1.342 0.020 . 2 . . . . 76 K HG . 16262 1 845 . 1 1 99 99 LYS HG3 H 1 1.342 0.020 . 2 . . . . 76 K HG . 16262 1 846 . 1 1 99 99 LYS CA C 13 56.516 0.400 . 1 . . . . 76 K CA . 16262 1 847 . 1 1 99 99 LYS CB C 13 33.360 0.400 . 1 . . . . 76 K CB . 16262 1 848 . 1 1 99 99 LYS CD C 13 28.911 0.400 . 1 . . . . 76 K CD . 16262 1 849 . 1 1 99 99 LYS CE C 13 42.000 0.400 . 1 . . . . 76 K CE . 16262 1 850 . 1 1 99 99 LYS CG C 13 24.659 0.400 . 1 . . . . 76 K CG . 16262 1 851 . 1 1 99 99 LYS N N 15 123.220 0.030 . 1 . . . . 76 K N . 16262 1 852 . 1 1 100 100 ALA H H 1 8.268 0.001 . 1 . . . . 77 A H . 16262 1 853 . 1 1 100 100 ALA HA H 1 4.287 0.001 . 1 . . . . 77 A HA . 16262 1 854 . 1 1 100 100 ALA HB1 H 1 1.365 0.020 . 1 . . . . 77 A HB . 16262 1 855 . 1 1 100 100 ALA HB2 H 1 1.365 0.020 . 1 . . . . 77 A HB . 16262 1 856 . 1 1 100 100 ALA HB3 H 1 1.365 0.020 . 1 . . . . 77 A HB . 16262 1 857 . 1 1 100 100 ALA CA C 13 52.704 0.022 . 1 . . . . 77 A CA . 16262 1 858 . 1 1 100 100 ALA CB C 13 19.108 0.400 . 1 . . . . 77 A CB . 16262 1 859 . 1 1 100 100 ALA N N 15 125.836 0.012 . 1 . . . . 77 A N . 16262 1 860 . 1 1 101 101 ARG H H 1 7.869 0.001 . 1 . . . . 78 R H . 16262 1 861 . 1 1 101 101 ARG HA H 1 4.289 0.020 . 1 . . . . 78 R HA . 16262 1 862 . 1 1 101 101 ARG HB2 H 1 1.687 0.020 . 2 . . . . 78 R HB . 16262 1 863 . 1 1 101 101 ARG HB3 H 1 1.687 0.020 . 2 . . . . 78 R HB . 16262 1 864 . 1 1 101 101 ARG HG2 H 1 1.390 0.020 . 2 . . . . 78 R HG . 16262 1 865 . 1 1 101 101 ARG HG3 H 1 1.390 0.020 . 2 . . . . 78 R HG . 16262 1 866 . 1 1 101 101 ARG CA C 13 57.371 0.400 . 1 . . . . 78 R CA . 16262 1 867 . 1 1 101 101 ARG CB C 13 31.523 0.400 . 1 . . . . 78 R CB . 16262 1 868 . 1 1 101 101 ARG N N 15 125.268 0.027 . 1 . . . . 78 R N . 16262 1 stop_ save_